b-D-Glucopyranuronic acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]


Chemical Name: b-D-Glucopyranuronic acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]
CAS Number: 102623-18-7
Product Number: AG0007YT(AGN-PC-0ORPRP)
Synonyms:
MDL No:
Molecular Formula: C21H23NO8
Molecular Weight: 417.4092

Identification/Properties


Computed Properties
Molecular Weight:
417.414g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
6
Exact Mass:
417.142g/mol
Monoisotopic Mass:
417.142g/mol
Topological Polar Surface Area:
146A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
616
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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