Molecule ID: 1549144

IUPAC Name: 5-[(3R)-dithiolan-3-yl]pentanoate

Description: The molecule is a lipoate that is the conjugate base of (R)-lipoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a cofactor. It is a conjugate base of a (R)-lipoic acid.

SMILES: O=C([O-])CCCC[C@@H]1CCSS1

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][C][C@@H1][C][C][S][S][Ring1][Branch1]

InChI: InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/p-1/t7-/m1/s1

Molecular Properties:
- Polar Surface Area: 90.7 Ų
- LogP: 2.3