Molecule ID: 86289838

IUPAC Name: (3R,17R)-3,17-dihydroxyoctadecanoic acid

Description: The molecule is an (omega-1)-hydroxy fatty acid that is (17R)-17-hydroxyoctadecanoic acid ((17R)-17-hydroxystearic 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 hydroxyoctadecanoic acid. It derives from a (R)-17-hydroxyoctadecanoic acid.

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

InChI: InChI=1S/C18H36O4/c1-16(19)13-11-9-7-5-3-2-4-6-8-10-12-14-17(20)15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17-/m1/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 5.2