Molecule ID: 6112

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

Description: The molecule is the (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties. It has a role as a prosthetic group, a nutraceutical and a cofactor. It is a lipoic acid, a member of dithiolanes, a heterocyclic fatty acid and a thia fatty acid. It derives from an octanoic acid. It is a conjugate acid of a (R)-lipoate. It is an enantiomer of a (S)-lipoic acid.

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

SELFIES: [O][=C][Branch1][C][O][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)/t7-/m1/s1

Molecular Properties:
- Polar Surface Area: 87.9 Ų
- LogP: 1.7