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α -Lipoic Acid 500mg

CAT: 0628-A17341-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A17341-500Size:500 mg
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CAS Number
1077-28-7

Chemical Information

alpha Lipoic acid

Lipoic acid is a heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position. It has a role as a geroprotector and a fundamental metabolite. It is 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 lipoate.

CAS Number1077-28-7
PubChem CID864
IUPAC Name5-(dithiolan-3-yl)pentanoic acid
Molecular FormulaC8H14O2S2
Molecular Weight206.3
XLogP1.7
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity150
SMILES
C1CSSC1CCCCC(=O)O
InChI
InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
InChIKey
AGBQKNBQESQNJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha Lipoic acid
CAS: 1077-28-7
CID: 864
Formula: C8H14O2S2
MW: 206.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight206.3
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass206.04352203
Monoisotopic Mass206.04352203
Topological Polar Surface Area87.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes