Glucocapparin

CAT: 1410-M32076-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1410-M32076-02Size:5 mg

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Description

The herbs of Capparis spinosa L.

CAS Number

15592-33-3

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

371.4

Molecular Formula

C8H14KNO9S2

Notes

Research use only, not for human use.

Receptor

——

Chemical Information

beta-d-glucopyranose, 1-thio-, 1-(n-(sulfooxy)ethanimidate), monopotassium salt

CAS Number	15592-33-3
PubChem CID	9573942
IUPAC Name	[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxyethanimidothioate
Molecular Formula	C8H15NO9S2
Molecular Weight	333.3
XLogP	-1.8
Topological Polar Surface Area	200
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	447

SMILES

C/C(=N\OS(=O)(=O)O)/SC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)/b9-3+

InChIKey

UBTOEGCOMHAXGV-YCRREMRBSA-N

Chemical Structure

2D Structure

CAS: 15592-33-3

CID: 9573942

Formula: C8H15NO9S2

MW: 333.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	333.3
XLogP3	-1.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	333.01882340
Monoisotopic Mass	333.01882340
Topological Polar Surface Area	200 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	447
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T125730-01	Glucocapparin
QAA59233-01	Potassium glucocapparin