UCSF

ZINC02539702

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: Gluconolactone Gluconolactone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 90-80-2 , [90-80-2]

Other Names:

(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one

(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one

(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one; 1,5-D-gluconolactone; D-gluconic acid delta-lactone; D-gluconic acid lactone; D-glucono-1,5-lactone; Gluconolactone; delta-D-gluconolactone; gluconic delta-lactone

1,5-D-Gluconolactone; 1,5-Gluconolactone; 1,5-delta-Gluconolactone; 3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-one; D(+)-Gluconic acid gamma-lactone; D-(+)-Gluconic acid D-lactone; D-(+)-Gluconic acid-delta lactone; D-Aldonolactone; D-Gluconic ac

1,5-D-Gluconolactone; 1,5-Gluconolactone; AI3-19578; D-Aldonolactone; D-Gluconic acid delta-lactone; D-Gluconic acid lactone; D-Gluconic acid, delta-lactone; D-Gluconic acid-delta-lactone; D-Gluconic delta-lactone; D-Glucono-1,5-lactone; D-Gluconolactone

1,5-D-Gluconolactone; 1,5-Gluconolactone; AI3-19578; D-Gluconic acid delta-lactone; D-Gluconic acid lactone; D-Gluconic acid, delta-lactone; D-Gluconic acid-delta-lactone; D-Gluconic delta-lactone; D-Glucono-1,5-lactone; D-delta-Gluconolactone; Deltagluco

1,5-D-Gluconolactone;1,5-delta-Gluconolactone;1,5-Gluconolactone;3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-one;beta-Glucono-1,5-Lactone;D(+)-Gluconic acid gamma-lactone;D-(+)-Gluconic acid D-lactone;D-(+)-Gluconic acid-delta lactone;D-Aldonolact

1,5-D-Gluconolactone;1,5-Gluconolactone;1,5-delta-Gluconolactone;3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-one;D(+)-Gluconic acid gamma-lactone;D-(+)-Gluconic acid D-lactone;D-(+)-Gluconic acid-delta lactone;D-Aldonolactone;D-Gluconic acid 1,5-l

1,5-gluconolactone; 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-one; 90-80-2; D-aldonolactone; D-glucono-1,5-lactone; D-glucono-delta-lactone; D-gluconolactone; GLC-D-LACTONE; delta-gluconolactone; gluconic acid lactone; gluconic lactone; glucono-

1,5-Gluconolactone; 3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-one; Beta-Glucono-1,5-Lactone; D(+)-Gluconic acid gamma-lactone; D-(+)-Gluconic acid d-lactone; D-(+)-Gluconic acid-delta lactone; d-Aldonolactone; D-Gluconic acid 1,5-lactone; D-Gluc

1,5-Gluconolactone; 90-80-2; C00198; D-Glucono-1,5-lactone; D-Gluconolactone; Gluconic acid lactone; Gluconic lactone; Gluconolactone; delta-Gluconolactone

90-80-2; D-Gluconolactone; D04332; Gluconolactone (USP)

?-Gluconolactone

CHEBI:43753; CHEBI:20988; CHEBI:12957; CHEBI:4159

D-(+)-Gluconic acid ?-lactone

D-(+)-Gluconic acid delta-lactone

D-(+)-Gluconic acid ^d-lactone

D-(+)-Glucono-1,5-lactone

D-(+)-Glucono-1,5-lactone, 99%

D-Gluconic acid lactone

D-glucono-1,5-lactone

delta-Gluconolactone

delta-Gluconolactone, 99%

Gluconolactone (FDA

MFCD00006647

USP)

^d-Gluconolactone

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -2.11 -8.58 -10.25 4 6 0 107 178.14 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 151 - 155 Acros Organics
MP 153 TCI
Melting_Point 154-159? dec. Alfa-Aesar
Melting_Point 154-159° dec. Alfa-Aesar
ALOGPS_SOLUBILITY 5.86e+02 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
UniProt Database Links DHG1_BACME; DHG2_BACME; DHG2_BACSU; DHG3_BACME; DHG4_BACME; DHGA_ACICA; DHGA_BACME; DHGB_ACICA; DHGB_BACME; DHGL_DROME; DHGL_DROPS; DHG_BACME; DHG_BACSU; DHG_ECOLI; DHG_GLUOX; FCDH_PSESP; FGD1_RHOSR; FGD2_RHOSR; FGD_AMYMU; FGD_BEUC1; FGD_GORB4; FGD_INTC7 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links US2007238866; WO2007103687 ChEBI

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