A-Lipoic acid-NHS

CAT: 0127-OR1031821-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1031821-01Size:250 mg

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CAS Number

40846-94-4

Purity

98%

Smiles

O=C(ON1C(CCC1=O)=O)CCCCC2SSCC2

Chemical Information

1-((5-(1,2-Dithiolan-3-yl)pentanoyl)oxy)pyrrolidine-2,5-dione

CAS Number	40846-94-4
PubChem CID	53259805
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 5-(dithiolan-3-yl)pentanoate
Molecular Formula	C12H17NO4S2
Molecular Weight	303.4
XLogP	1.1
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	19
Formal Charge	0
Complexity	359

SMILES

C1CSSC1CCCCC(=O)ON2C(=O)CCC2=O

InChI

InChI=1S/C12H17NO4S2/c14-10-5-6-11(15)13(10)17-12(16)4-2-1-3-9-7-8-18-19-9/h9H,1-8H2

InChIKey

WBCUIGFYTHUQHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40846-94-4

CID: 53259805

Formula: C12H17NO4S2

MW: 303.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	303.4
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	303.05990037
Monoisotopic Mass	303.05990037
Topological Polar Surface Area	114 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	359
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

Catalog	Name
BUP19692	A-Lipoic Acid
BUP18248-01	Lipoic acid
OR1025219-01	R-Alpha-Lipoic Acid
BID9805-01	DL-alpha-Lipoic acid
OR322793-01	Butyric acid nhs ester
BIPG1000-01	Acid-PEG5-NHS ester
OR315138	4-Vinylsulphonylbenzoic acid-NHS
BIPG1002-01	Acid-PEG13-NHS ester
BIPG1001-01	Acid-PEG9-NHS ester
BIPG1003-01	Acid-PEG25-NHS ester

Catalog	Name
GTR19215668-01	α-Lipoic acid-NHS
573072	alpha-lipoic acid-NHS
sc-472475	DL-α-Lipoic acid NHS
FL177264	DL-a-Lipoic Acid-NHS
281480	DL-alpha-Lipoic acid NHS
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
HY-N0492-01	α-Lipoic Acid
FL00461-01	A-Lipoic acid
C09817-25mg	(+) -α-Lipoic acid