[[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxyoxolan-2-Yl]Methoxy-Phosphonooxyphosphoryl]Oxy-N-[[4-(2-Chloroethyl-Methylamino)Phenyl]Methyl]Phosphonamidic Acid
[CAS# 75795-00-5]

Identification

• Name: [[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxyoxolan-2-Yl]Methoxy-Phosphonooxyphosphoryl]Oxy-N-[[4-(2-Chloroethyl-Methylamino)Phenyl]Methyl]Phosphonamidic Acid
• Synonyms: [[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Phosphonooxy-Phosphoryl]Oxy-N-[[4-(2-Chloroethyl-Methyl-Amino)Phenyl]Methyl]Phosphonamidic Acid; [[(2R,3S,5R)-5-(6-Amino-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methoxy-Phosphonooxyphosphoryl]Oxy-N-[[4-(2-Chloroethyl-Methylamino)Phenyl]Methyl]Phosphonamidic Acid; [[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Phosphonooxy-Phosphoryl]Oxy-N-[4-(2-Chloroethyl-Methyl-Amino)Benzyl]Phosphonamidic Acid
• Molecular Formula: C₂₀H₂₉ClN₇O₁₁P₃
• Molecular Weight: 671.86
• CAS Registry Number: 75795-00-5
• SMILES: [C@@H]2(CO[P](O[P](=O)(O)NCC1=CC=C(C=C1)N(C)CCCl)(O[P](=O)(O)O)=O)[C@@H](O)C[C@@H](O2)[N]3C=NC4=C3N=CN=C4N
• InChI: 1S/C20H29ClN7O11P3/c1-27(7-6-21)14-4-2-13(3-5-14)9-26-40(30,31)38-42(35,39-41(32,33)34)36-10-16-15(29)8-17(37-16)28-12-25-18-19(22)23-11-24-20(18)28/h2-5,11-12,15-17,29H,6-10H2,1H3,(H2,22,23,24)(H2,26,30,31)(H2,32,33,34)/t15-,16+,17+,42?/m0/s1
• InChIKey: HSFHKUYDMHPOSJ-FNNWXVPJSA-N

Properties

• Density: 1.9g/cm³ (Cal.)
• Boiling point: 953.728°C at 760 mmHg (Cal.)
• Flash point: 530.596°C (Cal.)