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21087-77-4

21087-77-4 | β-D-Glucopyranose, 1-thio-, 1-[(3R)-3-hydroxy-N-(sulfooxy)-4-pentenimidate], potassium salt (1:1)

CAS No: 21087-77-4 Catalog No: AG002L0P MDL No:

Product Description

Catalog Number:
AG002L0P
Chemical Name:
β-D-Glucopyranose, 1-thio-, 1-[(3R)-3-hydroxy-N-(sulfooxy)-4-pentenimidate], potassium salt (1:1)
CAS Number:
21087-77-4
IUPAC Name:
potassium;[(E)-[(3R)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-4-enylidene]amino] sulfate
InChI:
InChI=1S/C11H19NO10S2.K/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11;/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20);/q;+1/p-1/b12-7+;/t5-,6+,8+,9-,10+,11-;/m0./s1
InChI Key:
GAYXFCKWHSTEIK-KRGOUHSNSA-M

Properties

Complexity:
554  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
1  
Exact Mass:
427.001g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
427.48g/mol
Monoisotopic Mass:
427.001g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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