Molecule ID: 56927872

IUPAC Name: 3,16-dihydroxyhexadecanoic acid

Description: The molecule is a dihydroxy monocarboxylic acid that consists of palmitic acid bearing two hydroxy substituents at positions 3 and 16. It is a dihydroxy monocarboxylic acid, a 3-hydroxy fatty acid and an omega-hydroxy-long-chain fatty acid. It derives from a 16-hydroxyhexadecanoic acid. It is a conjugate acid of a 3,16-dihydroxyhexadecanoate.

SMILES: O=C(O)CC(O)CCCCCCCCCCCCCO

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

InChI: InChI=1S/C16H32O4/c17-13-11-9-7-5-3-1-2-4-6-8-10-12-15(18)14-16(19)20/h15,17-18H,1-14H2,(H,19,20)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 4.2