Molecular Identity
Lipoic acid
5-[(3R)-dithiolan-3-yl]pentanoic acid
PubChem CID: 6112
(R)-lipoic acid is the (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties. It has a role as a cofactor, a prosthetic group and a nutraceutical. It is a lipoic acid, a member of dithiolanes, a heterocyclic fatty acid and a thia fatty acid. It is functionally related to an octanoic acid. It is a conjugate acid of a (R)-lipoate. It is an enantiomer of a (S)-lipoic acid.
2D Structure
Properties
C8H14O2S2
Molecular Formula
206.30
Molecular Weight
g/mol
206.0435
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
87.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
150
Complexity
SMILES
Canonical SMILES
SMILES: C1CSSC1CCCCC(=O)OIsomeric SMILES
SMILES: C1CSS[C@@H]1CCCCC(=O)OSynonyms(20)
lipoic acid(R)-lipoic acid(R)-5-(1,2-Dithiolan-3-yl)pentanoic acid(R)-alpha-Lipoic acidD-Thioctic acid(R)-(+)-1,2-Dithiolane-3-pentanoic acidR-(+)-Thioctic acid(+)-alpha-Lipoic acid1,2-Dithiolane-3-pentanoic acid, (3R)-R-alpha-Lipoic acidThioctic acid d-form5-[(3R)-dithiolan-3-yl]pentanoic acidBerlitionThiogammaLipoec
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Lipoic acid
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