UCSF

ZINC00388770

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 8 Yes

Popular Name: Methyl (S)-(+)-3-hydroxybutyrate Methyl (S)-(+)-3-hydroxybutyrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1487-49-6 , 3976-69-0 , 53562-86-0 , [10402-53-6] , [10402-90-1] , [1487-49-6] , [53562-86-0]

Download: MOL2 SDF SMILES Flexibase

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) -0.13 0.98 -7.17 1 3 0 47 118.132 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 56-58?/11mm Alfa-Aesar
Boiling_Point 56-58°/11mm Alfa-Aesar
BP [°C] 63 (p=10 torr) Acros Organics
BP 76 / 21 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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