L-Glutamic acid,N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-,sodium salt, hydrate (2:4:5) (9CI)


Chemical Name: L-Glutamic acid,N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-,sodium salt, hydrate (2:4:5) (9CI)
CAS Number: 357166-30-4
Product Number: AG00IKJ7(AGN-PC-0RB7HB)
Synonyms:
MDL No:
Molecular Formula: C40H48N10Na4O17
Molecular Weight: 1032.8250

Identification/Properties


Computed Properties
Molecular Weight:
1032.836g/mol
Hydrogen Bond Donor Count:
13
Hydrogen Bond Acceptor Count:
19
Rotatable Bond Count:
14
Exact Mass:
1032.279g/mol
Monoisotopic Mass:
1032.279g/mol
Topological Polar Surface Area:
390A^2
Heavy Atom Count:
71
Formal Charge:
0
Complexity:
737
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
11
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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