2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-6-Phosphono-Hexanoic Acid
[CAS# 113811-44-2]

Identification

• Name: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-6-Phosphono-Hexanoic Acid
• Synonyms: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-6-Phosphono-Hexanoic Acid; 2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methylamino]Phenyl]-Oxomethyl]Amino]-6-Phosphonohexanoic Acid; 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]-6-Phosphono-Hexanoic Acid
• Molecular Formula: C₂₀H₂₅N₈O₆P
• Molecular Weight: 504.44
• CAS Registry Number: 113811-44-2
• SMILES: C1=C(C(=O)NC(CCCC[P](O)(O)=O)C(O)=O)C=CC(=C1)NCC3=CN=C2N=C(N=C(N)C2=N3)N
• InChI: 1S/C20H25N8O6P/c21-16-15-17(28-20(22)27-16)24-10-13(25-15)9-23-12-6-4-11(5-7-12)18(29)26-14(19(30)31)3-1-2-8-35(32,33)34/h4-7,10,14,23H,1-3,8-9H2,(H,26,29)(H,30,31)(H2,32,33,34)(H4,21,22,24,27,28)
• InChIKey: QDNOMSXKUKXOBE-UHFFFAOYSA-N

Properties

• Density: 1.585g/cm³ (Cal.)