User Information

• Synonyms (5)
• Vendors (7)
• Annotations (3)
• Representations (1)
• Notes (1)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (18)

ZINC03881596

• 3881596

Physical Representations

Vendor Notes

Activity (Go SEA)

• 4428800
  

  Analogs

  4428801

  

  4428802

  

  4428803

  

  5851311

  

  5851315

  

  Popular Name: 1,2:5,6-Di-O-isopropylidene-3-O-methylsulfonyl-alpha-D-glucofuranose 1,2:5,6-Di-O-isopropylidene-3-O-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • CiVentiChem

    • CV-3037

  • Mcule

    • MCULE-4168273744

  • TimTec

    • ST50989921

  • TimTec Building Blocks

    • SBB056962

  • ChemDB

    • 4259068

  And 4 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.69	-6.4	-11.26	0	8	0	89	338.378	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04428800
• 4428801
  

  Analogs

  4428802

  

  4428803

  

  5851311

  

  5851315

  

  5851319

  

  Popular Name: 1,2:5,6-Di-O-isopropylidene-3-O-methylsulfonyl-alpha-D-glucofuranose 1,2:5,6-Di-O-isopropylidene-3-O-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • CiVentiChem

    • CV-3037

  • Mcule

    • MCULE-4168273744

  • TimTec

    • ST50989921

  • TimTec Building Blocks

    • SBB056962

  • ChemDB

    • 4259068

  And 4 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.69	-6.25	-12.05	0	8	0	89	338.378	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04428801
• 4428802
  

  Analogs

  4428803

  

  5851311

  

  5851315

  

  5851319

  

  5851324

  

  Popular Name: 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,3-dimethyl-8-methylsulfonyloxy-2,4,6-trioxabicyclo[3.3.0]octane 7-(2,2-dimethyl-1,3-dioxolan-4-y…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-4168273744

  • TimTec

    • ST50989921

  • TimTec Building Blocks

    • SBB056962

  • ChemDB

    • 4259068

  • PubChem

    • 225084

  And 3 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.69	-6.44	-10.97	0	8	0	89	338.378	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04428802
• 4428803
  

  Analogs

  5851311

  

  5851315

  

  5851319

  

  5851324

  

  12402495

  

  Popular Name: 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,3-dimethyl-8-methylsulfonyloxy-2,4,6-trioxabicyclo[3.3.0]octane 7-(2,2-dimethyl-1,3-dioxolan-4-y…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-4168273744

  • TimTec

    • ST50989921

  • TimTec Building Blocks

    • SBB056962

  • ChemDB

    • 4259068

  • PubChem

    • 225084

  And 3 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.69	-7.09	-11.02	0	8	0	89	338.378	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04428803
• 5851311
  

  Analogs

  16036728

  

  16036729

  

  16968507

  

  3881596

  

  Popular Name: (7,7-dimethyl-2-methylsulfonyloxy-4,6,8-trioxabicyclo[3.3.0]oct-3-yl)methanol (7,7-dimethyl-2-methylsulfonylox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL19

    • CHEMBL1997235

  • ChemDB

    • 4938936

  • PubChem

    • 392874
    • 496559

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	-0.55	-2.49	-19.16	1	7	0	91	268.287	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05851311
• 5851315
  

  Analogs

  16036728

  

  16036729

  

  16968507

  

  3881596

  

  Popular Name: (7,7-dimethyl-2-methylsulfonyloxy-4,6,8-trioxabicyclo[3.3.0]oct-3-yl)methanol (7,7-dimethyl-2-methylsulfonylox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL19

    • CHEMBL1997235

  • ChemDB

    • 4938936

  • PubChem

    • 392874
    • 496559

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	-0.55	-2.76	-14.7	1	7	0	91	268.287	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05851315
• 5851319
  

  Analogs

  16036728

  

  16036729

  

  16968507

  

  3881596

  

  Popular Name: (7,7-dimethyl-2-methylsulfonyloxy-4,6,8-trioxabicyclo[3.3.0]oct-3-yl)methanol (7,7-dimethyl-2-methylsulfonylox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL19

    • CHEMBL1997235

  • PubChem

    • 392874

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	-0.55	-2.73	-17.51	1	7	0	91	268.287	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05851319
• 5851324
  

  Analogs

  16036728

  

  16036729

  

  16968507

  

  3881596

  

  Popular Name: (7,7-dimethyl-2-methylsulfonyloxy-4,6,8-trioxabicyclo[3.3.0]oct-3-yl)methanol (7,7-dimethyl-2-methylsulfonylox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL19

    • CHEMBL1997235

  • PubChem

    • 392874

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	-0.55	-2.81	-15.02	1	7	0	91	268.287	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05851324
• 12402495
  

  Analogs

  16036728

  

  16036729

  

  16036730

  

  16968507

  

  36369559

  

  Popular Name: 1,2:5,6-DI-O-ISOPROPYLIDENE-3-O-(METHYLSULFONYL)-ALPHA-D-GLUCOFURANOSE 1,2:5,6-DI-O-ISOPROPYLIDENE-3-O-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-002-507-095

  • CiVentiChem

    • CV-3037

  • Combi-Blocks

    • QB-8804

  • Molport BB

    • MolPort-002-507-095

  • Ryan Scientific BB

    • 077-56454

  And 4 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.69	-6.4	-13.1	0	8	0	90	338.378	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12402495
• 16036728
  

  Analogs

  16036729

  

  16036730

  

  16968507

  

  36369559

  

  36369560

  

  Popular Name: [(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[5,4-d [(3aR,5S,6R,6aR)-5-[(4R)-2,2-dim…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 26916624

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.69	1.65	-20.26	0	8	0	90	338.378	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16036728
• 16036729
  

  Analogs

  36369559

  

  36369560

  

  36369561

  

  36369562

  

  5851311

  

  Popular Name: [(3aR,5R,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[5,4-d [(3aR,5R,6R,6aR)-5-[(4S)-2,2-dim…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 26916625

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.69	1.23	-14.37	0	8	0	90	338.378	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16036729
• 16036730
  

  Analogs

  2083263

  

  3881596

  

  Popular Name: [(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[5,4-d [(3aR,5R,6R,6aR)-5-[(4R)-2,2-dim…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • IBM Patent Data

    • 136147638

  • PubChem

    • 11035134

  • SureChEMBL

    • SCHEMBL7869672

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.69	1.1	-14.06	0	8	0	90	338.378	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16036730
• 16968507
  

  Analogs

  5851311

  

  5851315

  

  Popular Name: [(3aS,5R,6S,6aS)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[5,4-d [(3aS,5R,6S,6aS)-5-[(4S)-2,2-dim…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • NCI Plated 2007

    • 14162
    • 109284

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.69	1.42	-16.24	0	8	0	90	338.378	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16968507
• 36369559
  

  Analogs

  2083263

  

  3881596

  

  Popular Name: [(3aR,5S,6R,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol [(3aR,5S,6R,6aR)-5-[(1R)-1,2-dih…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 14085064

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	-1.20	-3.68	-20.65	2	8	0	112	298.313	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36369559
• 36369560
  

  Analogs

  2083263

  

  3881596

  

  Popular Name: [(3aR,5S,6R,6aS)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol [(3aR,5S,6R,6aS)-5-[(1R)-1,2-dih…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 14085064

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	-1.20	-4.16	-20.47	2	8	0	112	298.313	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36369560
• 36369561
  

  Analogs

  2083263

  

  3881596

  

  Popular Name: [(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol [(3aR,5S,6S,6aR)-5-[(1R)-1,2-dih…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 14085064

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	-1.20	-4.37	-12.45	2	8	0	112	298.313	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36369561
• 36369562
  

  Analogs

  2083263

  

  3881596

  

  Popular Name: [(3aR,5S,6S,6aS)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol [(3aR,5S,6S,6aS)-5-[(1R)-1,2-dih…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 14085064

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	-1.20	-4.81	-12.51	2	8	0	112	298.313	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36369562
• 2083263
  

  Analogs

  3881596

  

  4428800

  

  4428801

  

  4428802

  

  4428803

  

  Popular Name: methanesulfonic-acid-[(3aR,5S,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a methanesulfonic-acid-[(3aR,5S,6R…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 1742166

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.69	-6.6	-16.74	0	8	0	89	338.378	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02083263