Molecule ID: 129626650

IUPAC Name: 8-[(2S,3R)-3-(8-hydroxyoctyl)oxiran-2-yl]octanoate

Description: The molecule is a 9,10-epoxy-18-hydroxyoctadecanoate that is the conjugate base of (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a conjugate base of a (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid. It is an enantiomer of a (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoate.

SMILES: O=C([O-])CCCCCCC[C@@H]1O[C@@H]1CCCCCCCCO

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][C][C][C][C][C@@H1][O][C@@H1][Ring1][Ring1][C][C][C][C][C][C][C][C][O]

InChI: InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)/p-1/t16-,17+/m1/s1

Molecular Properties:
- Polar Surface Area: 72.9 Ų
- LogP: 5.2