Molecule ID: 86289873

IUPAC Name: (3R)-3,22-dihydroxydocosanoic acid

Description: The molecule is a dihydroxy monocarboxylic acid that is behenic acid (docosanoic acid) in which the pro-R hydrogen at position 3 and and one of the hydrogens of the terminal methyl group are replaced by hydroxy groups. 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 docosanoic acid.

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

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][C][O]

InChI: InChI=1S/C22H44O4/c23-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-21(24)20-22(25)26/h21,23-24H,1-20H2,(H,25,26)/t21-/m1/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 7.4