Molecule ID: 72551561

IUPAC Name: 3,18-dihydroxyoctadecanoate

Description: The molecule is an omega-hydroxy fatty acid anion that is the conjugate base of 3,18-dihydroxyoctadecano (3,18-dihydroxystearic acid), obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an omega-hydroxy fatty acid anion and a long-chain fatty acid anion. It derives from an octadecanoate. It is a conjugate base of a 3,18-dihydroxyoctadecanoic acid.

SMILES: O=C([O-])CC(O)CCCCCCCCCCCCCCCO

SELFIES: [O][=C][Branch1][C][O-1][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O]

InChI: InChI=1S/C18H36O4/c19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17(20)16-18(21)22/h17,19-20H,1-16H2,(H,21,22)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 5.9