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Glucobarbarin

CAT: 1410-M32088-01Size: 1 EachDry Ice: NoHazardous: No
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Description
The herbs of Cardamine leucantha.
CAS Number
21087-78-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
477.6
Molecular Formula
C15H20KNO10S2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

potassium [(E)-[(3S)-3-hydroxy-3-phenyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate
CAS Number21087-78-5
PubChem CID162639105
IUPAC Namepotassium [(E)-[(3S)-3-hydroxy-3-phenyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate
Molecular FormulaC15H20KNO10S2
Molecular Weight477.6
Topological Polar Surface Area223
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity625
SMILES
C1=CC=C(C=C1)[C@H](C/C(=N\OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O.[K+]
InChI
InChI=1S/C15H21NO10S2.K/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8;/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24);/q;+1/p-1/b16-11+;/t9-,10+,12+,13-,14+,15-;/m0./s1
InChIKey
XFIGKNKFEZIHMP-XCCSPZAPSA-M
Chemical Structure
2D Structure
2D structure of potassium [(E)-[(3S)-3-hydroxy-3-phenyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate
CAS: 21087-78-5
CID: 162639105
Formula: C15H20KNO10S2
MW: 477.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass477.01656967
Monoisotopic Mass477.01656967
Topological Polar Surface Area223 Ų
Heavy Atom Count29
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
JH918614Glucobarbarin
WAA08778-01Glucobarbarin potassium salt
40193Glucobarbarin Potassium Salt Reference Standard Grade, 90%

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