Molecule ID: 86289872

IUPAC Name: (3R)-3,21-dihydroxyhenicosanoic acid

Description: The molecule is a dihydroxy monocarboxylic acid that is 21-hydroxyhenicosanoic 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 21-hydroxyhenicosanoic acid.

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

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][C][C][C][C][O]

InChI: InChI=1S/C21H42O4/c22-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20(23)19-21(24)25/h20,22-23H,1-19H2,(H,24,25)/t20-/m1/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 6.9