b-D-Glucopyranosiduronic acid, 3-[2-(acetylamino)ethyl]-1H-indol-5-yl


Chemical Name: b-D-Glucopyranosiduronic acid, 3-[2-(acetylamino)ethyl]-1H-indol-5-yl
CAS Number: 18430-06-3
Product Number: AG00ADBK(AGN-PC-0QD6V0)
Synonyms:
MDL No:
Molecular Formula: C18H22N2O8
Molecular Weight: 394.37588

Identification/Properties


Computed Properties
Molecular Weight:
394.38g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
6
Exact Mass:
394.138g/mol
Monoisotopic Mass:
394.138g/mol
Topological Polar Surface Area:
161A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
576
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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