[5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲基[[5-(7,8-二甲基-2,4-二氧代苯并[g]蝶啶-10-基)-2,3,4-三羟基戊氧基]-羟基磷酰]磷酸氢酯
[CAS# 38716-27-7]

基本信息

• 产品名称: [5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲基[[5-(7,8-二甲基-2,4-二氧代苯并[g]蝶啶-10-基)-2,3,4-三羟基戊氧基]-羟基磷酰]磷酸氢酯
• 英文名: [5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxyoxolan-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate
• 别名: [5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate; [5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-10-Benzo[G]Pteridinyl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate; [5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [[5-(2,4-Diketo-7,8-Dimethyl-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate
• 分子式: C₂₇H₃₄N₉O₁₈P₃
• 分子量: 865.54
• CAS 登录号: 38716-27-7
• 分子行输入简码 SMILES: C1=C(C)C(=CC3=C1N(C2=NC(=O)NC(C2=N3)=O)CC(C(C(CO[P](O[P](OCC4C(C(O)C(O4)[N]6C5=C(C(=NC=N5)N)N=C6)O[P](O)(=O)O)(=O)O)(=O)O)O)O)O)C
• 国际化学标识码 InChI: 1S/C27H34N9O18P3/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(41)34-27(42)33-24)5-14(37)19(39)15(38)6-50-56(46,47)54-57(48,49)51-7-16-21(53-55(43,44)45)20(40)26(52-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-40H,5-7H2,1-2H3,(H,46,47)(H,48,49)(H2,28,29,30)(H,34,41,42)(H2,43,44,45)
• 国际化学标识检索码 InChIKey: QOJVPCDYXUQNMD-UHFFFAOYSA-N

物理化学性质

• 密度: 2.178g/cm³ （计算值）