L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-


Chemical Name: L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
CAS Number: 59-05-2
Product Number: AG0039PY(AGN-PC-0SR89V)
Synonyms:
MDL No:
Molecular Formula: C20H22N8O5
Molecular Weight: 454.4393

Identification/Properties


Computed Properties
Molecular Weight:
454.447g/mol
XLogP3:
-1.8
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
9
Exact Mass:
454.171g/mol
Monoisotopic Mass:
454.171g/mol
Topological Polar Surface Area:
211A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
704
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317-H319-H350-H360
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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