Molecule ID: 16061046

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

Description: The molecule is a 9,10-epoxy-18-hydroxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have S- and R-configuration respectively. It is a conjugate acid of a (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate. It is an enantiomer of a (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid.

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

SELFIES: [O][=C][Branch1][C][O][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)/t16-,17+/m1/s1

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 4.5