UCSF

ZINC04291190

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 9 Yes

Popular Name: (S)-Propyl 2-hydroxypropanoate (S)-Propyl 2-hydroxypropanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 53651-69-7 , 616-09-1 , [53651-69-7]

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) 0.78 2.12 -8.22 1 3 0 47 132.159 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 169 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0086070A2; EP0150914A2; EP0150914B1; EP0211667A2; EP0211667B1; EP0251164A2; EP0251164B1; EP0261812B1; EP0272920A1; EP0272920B1; EP0309624A1; EP0309624B1; EP0330406A2; EP0335554A2; EP0335554B1; EP0382213A2; EP0382213B1; EP0457367A1; EP0557364B1; EP056416 IBM Patent Data
PUBCHEM_PATENT_ID US6090801 IBM Patent Data

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