2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-3-Phosphono-Propanoic Acid
[CAS# 113811-42-0]

Identification

• Name: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-3-Phosphono-Propanoic Acid
• Synonyms: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-3-Phosphono-Propanoic Acid; 2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methylamino]Phenyl]-Oxomethyl]Amino]-3-Phosphonopropanoic Acid; 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-3-Phosphono-Propionic Acid
• Molecular Formula: C₁₇H₁₉N₈O₆P
• Molecular Weight: 462.36
• CAS Registry Number: 113811-42-0
• SMILES: C1=C(C(=O)NC(C[P](O)(O)=O)C(O)=O)C=CC(=C1)NCC3=CN=C2N=C(N=C(N)C2=N3)N
• InChI: 1S/C17H19N8O6P/c18-13-12-14(25-17(19)24-13)21-6-10(22-12)5-20-9-3-1-8(2-4-9)15(26)23-11(16(27)28)7-32(29,30)31/h1-4,6,11,20H,5,7H2,(H,23,26)(H,27,28)(H2,29,30,31)(H4,18,19,21,24,25)
• InChIKey: GELPWSJJLNTEIH-UHFFFAOYSA-N

Properties

• Density: 1.721g/cm³ (Cal.)