(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-[3-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate


Chemical Name: (2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-[3-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
CAS Number: 139427-57-9
Product Number: AG001B0N(AGN-PC-04YN9X)
Synonyms:
MDL No:
Molecular Formula: C16H20N2O7
Molecular Weight: 352.3392

Identification/Properties


Computed Properties
Molecular Weight:
352.343g/mol
XLogP3:
-1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
352.127g/mol
Monoisotopic Mass:
352.127g/mol
Topological Polar Surface Area:
134A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
525
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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