Molecule ID: 86289841

IUPAC Name: (3R,20R)-3,20-dihydroxyhenicosanoic acid

Description: The molecule is an (omega-1)-hydroxy fatty acid that is (20R)-20-hydroxyhenicosanoic 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 (20R)-20-hydroxyhenicosanoic acid.

SMILES: C[C@@H](O)CCCCCCCCCCCCCCCC[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][C][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C21H42O4/c1-19(22)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-20(23)18-21(24)25/h19-20,22-23H,2-18H2,1H3,(H,24,25)/t19-,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 6.8