Molecule ID: 12235229

IUPAC Name: (9R,10S)-9,10-dihydroxyoctadecanoic acid

Description: The molecule is a dihydroxy monocarboxylic acid that is octadecanoic acid in which the two hydroxy groups are located at positions 9R and 10S. It has a role as a Brassica napus metabolite. It is a dihydroxy monocarboxylic acid and a hydroxyoctadecanoic acid. It derives from an octadecanoic acid. It is an enantiomer of a (9S,10R)-dihydroxyoctadecanoic acid.

SMILES: CCCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)O

SELFIES: [C][C][C][C][C][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 5.1