[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-N-[[4-(2-Hydroxyethyl-Methylamino)Phenyl]Methyl]Phosphonamidic Acid
[CAS# 74536-50-8]

Identification

• Name: [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-N-[[4-(2-Hydroxyethyl-Methylamino)Phenyl]Methyl]Phosphonamidic Acid
• Synonyms: [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-[[4-(2-Hydroxyethyl-Methyl-Amino)Phenyl]Methyl]Phosphonamidic Acid; [[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-N-[[4-(2-Hydroxyethyl-Methylamino)Phenyl]Methyl]Phosphonamidic Acid; [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-[4-(2-Hydroxyethyl-Methyl-Amino)Benzyl]Phosphonamidic Acid
• Molecular Formula: C₂₀H₃₀N₇O₁₃P₃
• Molecular Weight: 669.42
• CAS Registry Number: 74536-50-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)NCC2=CC=C(N(CCO)C)C=C2)(=O)O)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C20H30N7O13P3/c1-26(6-7-28)13-4-2-12(3-5-13)8-25-41(31,32)39-43(35,36)40-42(33,34)37-9-14-16(29)17(30)20(38-14)27-11-24-15-18(21)22-10-23-19(15)27/h2-5,10-11,14,16-17,20,28-30H,6-9H2,1H3,(H,33,34)(H,35,36)(H2,21,22,23)(H2,25,31,32)/t14-,16-,17-,20-/m1/s1
• InChIKey: QXEZTRZFKVPUIH-WVSUBDOOSA-N

Properties

• Density: 1.976g/cm³ (Cal.)
• Boiling point: 1005.548°C at 760 mmHg (Cal.)
• Flash point: 561.935°C (Cal.)