Molecule ID: 86289842

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

Description: The molecule is a dihydroxy monocarboxylic acid that is behenic acid (docosanoic acid) in which the pro-R hydrogens at positions 3 and 21 are replaced by hydroxy groups. 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 docosanoic acid.

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

InChI: InChI=1S/C22H44O4/c1-20(23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21(24)19-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)/t20-,21-/m1/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 7.3