Molecule ID: 86289868

IUPAC Name: (3R)-3,17-dihydroxyheptadecanoic acid

Description: The molecule is a dihydroxy monocarboxylic acid that is 17-hydroxymargaric acid (17-hydroxyheptadecanoic acid) in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a 3-hydroxy carboxylic acid, an omega-hydroxy fatty acid, a dihydroxy monocarboxylic acid and a long-chain fatty acid. It derives from a 17-hydroxymargaric acid.

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

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

InChI: InChI=1S/C17H34O4/c18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-17(20)21/h16,18-19H,1-15H2,(H,20,21)/t16-/m1/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 4.7