Structure Database (LMSD)
Common Name
(S)-dihydrolipoic acid
Systematic Name
6S,8-dimercapto-octanoic acid
Synonyms
- (6S)-6,8-disulfanyloctanoic acid
3D model of (S)-dihydrolipoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IZFHEQBZOYJLPK-ZETCQYMHSA-N
InChi (Click to copy)
InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m0/s1
SMILES (Click to copy)
C(CCCC(=O)O)[C@H](S)CCS
References
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
198.92
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.82
Molar Refractivity
58.35
Admin
Created at
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Updated at
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