D-Amethopterin

(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid

CAS: 51865-79-3

Molecular Formula	`C20H22N8O5`
Molecular Weight	454.4 g/mol
LogP	-1.8
Topological Polar Surface Area	211.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	454.17133
Heavy Atoms	33
Complexity	704.0

Chemical Identifiers

CAS Number	51865-79-3
SMILES	`CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O`
InChIKey	`FBOZXECLQNJBKD-CYBMUJFWSA-N`

📖 Product Overview

D-Amethopterin (CAS: 51865-79-3) is a chemical compound with molecular formula C20H22N8O5 and molecular weight 454.4 g/mol. Its IUPAC systematic name is (2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid. LogP -1.8 Topological Polar Surface Area 211.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 12 Rotatable Bonds 9 Exact Mass 454.17133 Heavy Atoms 33 Complexity 704.0 InChI Key: FBOZXECLQNJBKD-CYBMUJFWSA-N. SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.

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