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
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
Other Databases
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
-
Updated at
-