Molecule ID: 86289837

IUPAC Name: (3R,16R)-3,16-dihydroxyheptadecanoic acid

Description: The molecule is an (omega-1)-hydroxy fatty acid that is (16R)-16-hydroxymargaric acid ((16R)-16-hydroxyheptadecanoic acid) in which the 3-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a 3-hydroxy carboxylic acid, a dihydroxy monocarboxylic acid and a long-chain fatty acid. It derives from a (16R)-16-hydroxymargaric acid.

SMILES: C[C@@H](O)CCCCCCCCCCCC[C@@H](O)CC(=O)O

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

InChI: InChI=1S/C17H34O4/c1-15(18)12-10-8-6-4-2-3-5-7-9-11-13-16(19)14-17(20)21/h15-16,18-19H,2-14H2,1H3,(H,20,21)/t15-,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 4.6