[[(2S,3R,4R)-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][(2R,3S,4R,5R)-5-[6-[6-[(2,4-二硝基苯基)氨基]己基氨基]嘌呤-9-基]-4-羟基-2-(羟基甲基)四氢呋喃-3-基]氢磷酸酯
[CAS# 73121-99-0]

基本信息

• 产品名称: [[(2S,3R,4R)-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][(2R,3S,4R,5R)-5-[6-[6-[(2,4-二硝基苯基)氨基]己基氨基]嘌呤-9-基]-4-羟基-2-(羟基甲基)四氢呋喃-3-基]氢磷酸酯
• 英文名: [[(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[6-[6-[(2,4-Dinitrophenyl)Amino]Hexylamino]Purin-9-Yl]-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl] Hydrogen Phosphate
• 别名: [[(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxo-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-[6-[6-[(2,4-Dinitrophenyl)Amino]Hexylamino]Purin-9-Yl]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate; [[(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxo-10-Benzo[G]Pteridinyl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[6-[6-[(2,4-Dinitrophenyl)Amino]Hexylamino]-9-Purinyl]-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl] Hydrogen Phosphate; [[(2S,3R,4R)-5-(2,4-Diketo-7,8-Dimethyl-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-[6-[6-[(2,4-Dinitrophenyl)Amino]Hexylamino]Purin-9-Yl]-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl] Hydrogen Phosphate
• 分子式: C₃₉H₄₈N₁₂O₁₉P₂
• 分子量: 1050.82
• CAS 登录号: 73121-99-0
• 分子行输入简码 SMILES: [C@H]4(O[C@@H]([C@@H](O[P](O[P](OC[C@H](O)[C@H](O)[C@H](O)CN2C1=NC(=O)NC(=O)C1=NC3=C2C=C(C(=C3)C)C)(=O)O)(=O)O)[C@H]4O)CO)[N]5C6=C(N=C5)C(=NC=N6)NCCCCCCNC7=CC=C([N+]([O-])=O)C=C7[N+]([O-])=O
• 国际化学标识码 InChI: 1S/C39H48N12O19P2/c1-19-11-23-24(12-20(19)2)48(36-30(45-23)37(57)47-39(58)46-36)14-26(53)31(55)27(54)16-67-71(63,64)70-72(65,66)69-33-28(15-52)68-38(32(33)56)49-18-44-29-34(42-17-43-35(29)49)41-10-6-4-3-5-9-40-22-8-7-21(50(59)60)13-25(22)51(61)62/h7-8,11-13,17-18,26-28,31-33,38,40,52-56H,3-6,9-10,14-16H2,1-2H3,(H,63,64)(H,65,66)(H,41,42,43)(H,47,57,58)/t26-,27+,28-,31-,32-,33-,38-/m1/s1
• 国际化学标识检索码 InChIKey: NYKTUWQZGBKDBC-ODTKMWLQSA-N

物理化学性质

• 密度: 1.868g/cm³ （计算值）