DL-alpha-Lipoic acid

CAT: 0127-BID9805-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-BID9805-01Size:5 g

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CAS Number

1077-28-7

Synonyms

DL-6,8-Dithiooctanoic acid, 1,2-Dithiolane-3-valeric acid

MDL Number

MFCD00005474

Purity

99%

Smiles

OC(=O)CCCCC1CCSS1

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 Number	1077-28-7
PubChem CID	864
IUPAC Name	5-(dithiolan-3-yl)pentanoic acid
Molecular Formula	C8H14O2S2
Molecular Weight	206.3
XLogP	1.7
Topological Polar Surface Area	87.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	150

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

CAS: 1077-28-7

CID: 864

Formula: C8H14O2S2

MW: 206.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	206.3
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	206.04352203
Monoisotopic Mass	206.04352203
Topological Polar Surface Area	87.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	150
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
abx283370-01	Lipoic acid (DL, alpha)
GK9120-10g	DL-alpha-Lipoic acid
27534819-25g	DL-alpha-Lipoic acid (DL Thioctic acid)
281480	DL-alpha-Lipoic acid NHS
20518-91	DL-α-Lipoic Acid
GTR19176363-01	Lipoic acid (DL, α)
GK1941-5g	DL-alpha-Lipoic acid, USP grade
1407GR025	DL-a-Lipoic acid for biochemistry
sc-472475	DL-α-Lipoic acid NHS
FL177264	DL-a-Lipoic Acid-NHS

DL-alpha-Lipoic acid

Chemical Information

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