Molecule ID: 56927873

IUPAC Name: 3,16-dihydroxyhexadecanoate

Description: The molecule is a hydroxy fatty acid anion that is the conjugate base of 3,16-dihydroxyhexadecanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxy fatty acid anion and a long-chain fatty acid anion. It derives from a hexadecanoate. It is a conjugate base of a 3,16-dihydroxyhexadecanoic acid.

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

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][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)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 4.8