2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid


Chemical Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid
CAS Number: 1185102-85-5
Product Number: AG008WJN(AGN-PC-05J3M6)
Synonyms:
MDL No:
Molecular Formula: C16H22N4O9
Molecular Weight: 414.36728

Identification/Properties


Computed Properties
Molecular Weight:
414.371g/mol
XLogP3:
-6.9
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
14
Exact Mass:
414.139g/mol
Monoisotopic Mass:
414.139g/mol
Topological Polar Surface Area:
185A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
673
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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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