[(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基[[2-[3-[2-氯乙基-(4-甲酰基苯基)氨基]丙基-(2-羟基乙基)氨基]乙氧基-羟基磷酰]氧基-羟基磷酰]氢磷酸酯
[CAS# 75501-18-7]

基本信息

• 产品名称: [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基[[2-[3-[2-氯乙基-(4-甲酰基苯基)氨基]丙基-(2-羟基乙基)氨基]乙氧基-羟基磷酰]氧基-羟基磷酰]氢磷酸酯
• 英文名: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[2-[3-[2-Chloroethyl-(4-Formylphenyl)Amino]Propyl-(2-Hydroxyethyl)Amino]Ethoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate
• 别名: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[2-[3-[2-Chloroethyl-(4-Formylphenyl)Amino]Propyl-(2-Hydroxyethyl)Amino]Ethoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[2-[3-[2-Chloroethyl-(4-Formylphenyl)Amino]Propyl-(2-Hydroxyethyl)Amino]Ethoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl [[2-[3-[2-Chloroethyl-(4-Methanoylphenyl)Amino]Propyl-(2-Hydroxyethyl)Amino]Ethoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• 分子式: C₂₆H₃₉ClN₇O₁₅P₃
• 分子量: 818.01
• CAS 登录号: 75501-18-7
• 分子行输入简码 SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](OCCN(CCCN(C2=CC=C(C=C2)C=O)CCCl)CCO)(=O)O)(=O)O)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• 国际化学标识码 InChI: 1S/C26H39ClN7O15P3/c27-6-9-33(19-4-2-18(14-36)3-5-19)8-1-7-32(10-12-35)11-13-45-50(39,40)48-52(43,44)49-51(41,42)46-15-20-22(37)23(38)26(47-20)34-17-31-21-24(28)29-16-30-25(21)34/h2-5,14,16-17,20,22-23,26,35,37-38H,1,6-13,15H2,(H,39,40)(H,41,42)(H,43,44)(H2,28,29,30)/t20-,22-,23-,26-/m1/s1
• 国际化学标识检索码 InChIKey: CJGIJJHZZCCBTH-HUBRGWSESA-N

物理化学性质

• 密度: 1.799g/cm³ （计算值）
• 沸点: 1063.56°C at 760 mmHg （计算值）
• 闪点: 597.02°C （计算值）