[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-N-[[4-(2-Chloroethyl-Methylamino)Phenyl]Methyl]Phosphonamidic Acid
[CAS# 32455-51-9]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-N-[[4-(2-Chloroethyl-Methylamino)Phenyl]Methyl]Phosphonamidic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-N-[[4-(2-Chloroethyl-Methyl-Amino)Phenyl]Methyl]Phosphonamidic Acid; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-N-[[4-(2-Chloroethyl-Methylamino)Phenyl]Methyl]Phosphonamidic Acid; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-N-[4-(2-Chloroethyl-Methyl-Amino)Benzyl]Phosphonamidic Acid
• Molecular Formula: C₂₀H₂₇ClN₇O₆P
• Molecular Weight: 527.90
• CAS Registry Number: 32455-51-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=O)(O)NCC2=CC=C(N(CCCl)C)C=C2)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C20H27ClN7O6P/c1-27(7-6-21)13-4-2-12(3-5-13)8-26-35(31,32)33-9-14-16(29)17(30)20(34-14)28-11-25-15-18(22)23-10-24-19(15)28/h2-5,10-11,14,16-17,20,29-30H,6-9H2,1H3,(H2,22,23,24)(H2,26,31,32)/t14-,16-,17-,20-/m1/s1
• InChIKey: HZJTWAKQXMPJCT-WVSUBDOOSA-N

Properties

• Density: 1.713g/cm³ (Cal.)
• Boiling point: 839.466°C at 760 mmHg (Cal.)
• Flash point: 461.493°C (Cal.)