b-D-Glucopyranosiduronic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl


Chemical Name: b-D-Glucopyranosiduronic acid,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl
CAS Number: 100495-98-5
Product Number: AG00024Z(AGN-PC-0OPR3X)
Synonyms:
MDL No:
Molecular Formula: C12H17N3O9
Molecular Weight: 347.2781

Identification/Properties


Computed Properties
Molecular Weight:
347.28g/mol
XLogP3:
-1.5
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
5
Exact Mass:
347.096g/mol
Monoisotopic Mass:
347.096g/mol
Topological Polar Surface Area:
180A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
473
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
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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