[(2R,3S,4R,5R)-5-(2-氨基-6-氧代-3H-嘌呤-9-基)-2-[[[(2R,3S,4R,5S)-5-(2-氨基-6-氧代-3H-嘌呤-9-基)-4-羟基-2-(羟基甲基)四氢呋喃-3-基]氧基-羟基磷酰]氧基甲基]-4-羟基四氢呋喃-3-基][(2R,3S,4R,5R)-5-(4-氨基-2-氧代嘧啶-1-基)-3-[[(2R,3S,4R,5R)-5-(2,4-二氧代嘧啶-1-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲氧基-羟基磷酰]氧基-4-羟基四氢呋喃-2-基]甲基磷酸氢酯
[CAS# 75902-87-3]

基本信息

• 产品名称: [(2R,3S,4R,5R)-5-(2-氨基-6-氧代-3H-嘌呤-9-基)-2-[[[(2R,3S,4R,5S)-5-(2-氨基-6-氧代-3H-嘌呤-9-基)-4-羟基-2-(羟基甲基)四氢呋喃-3-基]氧基-羟基磷酰]氧基甲基]-4-羟基四氢呋喃-3-基][(2R,3S,4R,5R)-5-(4-氨基-2-氧代嘧啶-1-基)-3-[[(2R,3S,4R,5R)-5-(2,4-二氧代嘧啶-1-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲氧基-羟基磷酰]氧基-4-羟基四氢呋喃-2-基]甲基磷酸氢酯
• 英文名: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[[[(2R,3S,4R,5S)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl]Oxy-Hydroxyphosphoryl]Oxymethyl]-4-Hydroxyoxolan-3-Yl] [(2R,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3-[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-3-Phosphonooxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-4-Hydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
• 别名: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[[[(2R,3S,4R,5S)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3-[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[[[(2R,3S,4R,5S)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl]Oxy-Hydroxyphosphoryl]Oxymethyl]-4-Hydroxy-3-Tetrahydrofuranyl] [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3-[[(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-4-Hydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-2-[[[(2R,3S,4R,5S)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-[[(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• 分子式: C₃₈H₄₉N₁₅O₃₀P₄
• 分子量: 1319.78
• CAS 登录号: 75902-87-3
• 分子行输入简码 SMILES: [C@@H]7(O[P](OC[C@H]2O[C@@H](N1C=CC(=NC1=O)N)[C@H](O)[C@@H]2O[P](OC[C@H]4O[C@@H](N3C(=O)NC(=O)C=C3)[C@H](O)[C@@H]4O[P](O)(O)=O)(O)=O)(O)=O)[C@H](O[C@@H]([N]5C6=C(N=C5)C(=O)N=C(N6)N)[C@@H]7O)CO[P](O[C@H]8[C@@H](O)[C@H](O[C@@H]8CO)[N]9C%10=C(N=C9)C(=O)N=C(N%10)N)(O)=O
• 国际化学标识码 InChI: 1S/C38H49N15O30P4/c39-15-1-3-50(37(62)44-15)32-21(58)25(82-86(69,70)73-6-12-24(80-84(64,65)66)20(57)31(77-12)51-4-2-16(55)45-38(51)63)13(78-32)7-75-87(71,72)83-26-14(79-34(22(26)59)53-10-43-18-28(53)47-36(41)49-30(18)61)8-74-85(67,68)81-23-11(5-54)76-33(19(23)56)52-9-42-17-27(52)46-35(40)48-29(17)60/h1-4,9-14,19-26,31-34,54,56-59H,5-8H2,(H,67,68)(H,69,70)(H,71,72)(H2,39,44,62)(H,45,55,63)(H2,64,65,66)(H3,40,46,48,60)(H3,41,47,49,61)/t11-,12-,13-,14-,19-,20-,21-,22-,23-,24-,25-,26-,31-,32-,33+,34-/m1/s1
• 国际化学标识检索码 InChIKey: SHTBBTHROBGAHD-JBVLDCMKSA-N

物理化学性质

• 密度: 2.506g/cm³ （计算值）