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Glucoiberin

CAT: 0013-GTR19208071Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208071Size:10 mg
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Description
Glucoiberin is a compound with a purity of ≥98%, a CAS number of 15592-34-4, and a molecular weight of 461.6.
CAS Number
15592-34-4
Purity
>=98%
Molecular Formula
C11H20KNO10S3
Molecular Weight
461.6
Notes
For research use only.

Chemical Information

beta-d-glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-n-(sulfooxy)butanimidate), monopotassium salt
CAS Number15592-34-4
PubChem CID23704359
IUPAC Namepotassium [(E)-[4-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbutylidene]amino] sulfate
Molecular FormulaC11H20KNO10S3
Molecular Weight461.6
Topological Polar Surface Area239
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity583
SMILES
CS(=O)CCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.[K+]
InChI
InChI=1S/C11H21NO10S3.K/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11;/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20);/q;+1/p-1/b12-7+;/t6-,8-,9+,10-,11+,24?;/m1./s1
InChIKey
PJZYNAFZGIIKQD-LUFJGRCYSA-M
Chemical Structure
2D Structure
2D structure of beta-d-glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-n-(sulfooxy)butanimidate), monopotassium salt
CAS: 15592-34-4
CID: 23704359
Formula: C11H20KNO10S3
MW: 461.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass460.98864084
Monoisotopic Mass460.98864084
Topological Polar Surface Area239 Ų
Heavy Atom Count26
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AAA55488-01Glucoiberin
QAA59234-01Glucoiberin potassium
HY-131371Glucoiberin (potassium)
20378Glucoiberin Potassium Salt Reference Standard, 85%

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