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  2. 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)

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

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)

[O-]C(=O)CCC(C(=O)[O-])NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N.[O-]C(=O)CCC(C(=O)[O-])NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+] Request for Quotation
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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