UCSF

ZINC00404383

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: Oxybispropanol Oxybispropanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110-98-5 , 25265-71-8 , 25322-69-4 , 57472-68-1

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) -0.24 -2.33 -7.1 2 3 0 50 134.175 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 31 Acros Organics
Melting_Point 32? Alfa-Aesar
Melting_Point 32° Alfa-Aesar
Mp [°C] 40 Acros Organics
BP [°C] 200 Acros Organics
Boiling_Point 231-235? Alfa-Aesar
Boiling_Point 231-235° Alfa-Aesar
UniProt Database Links EFP_ACIAD; EFP_ACIB3; EFP_ACIB5; EFP_ACIBC; EFP_ACIBT; EFP_ACIF2; EFP_ACIF5; EFP_ACTP2; EFP_ACTP7; EFP_ACTSZ; EFP_ALCBS; EFP_ALKEH; EFP_BAUCH; EFP_BLOFL; EFP_BLOPB; EFP_BUCAI; EFP_BUCAP; EFP_BUCBP; EFP_BUCMP; EFP_CHRSD; EFP_CITK8; EFP_COLP3; EFP_COXB1; EF ChEBI
PUBCHEM_PATENT_ID EP0346911A1; EP0346911B1; EP0351832A2; EP0351832B1; US5066107 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )