[(2R,3S,4R,5S)-5-(4-氨基-2-氧代嘧啶-1-基)-4-羟基-2-[[羟基-(羟基-膦酰氧基磷酰)氧基磷酰]氧基甲基]四氢呋喃-3-基]4-(苯甲酰基)苯甲酸酯
[CAS# 104960-26-1]

基本信息

• 产品名称: [(2R,3S,4R,5S)-5-(4-氨基-2-氧代嘧啶-1-基)-4-羟基-2-[[羟基-(羟基-膦酰氧基磷酰)氧基磷酰]氧基甲基]四氢呋喃-3-基]4-(苯甲酰基)苯甲酸酯
• 英文名: [(2R,3S,4R,5S)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]Oxolan-3-Yl] 4-(Benzoyl)Benzoate
• 别名: [(2R,3S,4R,5S)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 4-(Benzoyl)Benzoate; 4-(Oxo-Phenylmethyl)Benzoic Acid [(2R,3S,4R,5S)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-3-Tetrahydrofuranyl] Ester; 4-(Benzoyl)Benzoic Acid [(2R,3S,4R,5S)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Ester
• 分子式: C₂₃H₂₄N₃O₁₆P₃
• 分子量: 691.37
• CAS 登录号: 104960-26-1
• 分子行输入简码 SMILES: [C@@H]3(O[C@@H]([C@@H](OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)[C@H]3O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N4C(=O)N=C(N)C=C4
• 国际化学标识码 InChI: 1S/C23H24N3O16P3/c24-17-10-11-26(23(30)25-17)21-19(28)20(16(39-21)12-38-44(34,35)42-45(36,37)41-43(31,32)33)40-22(29)15-8-6-14(7-9-15)18(27)13-4-2-1-3-5-13/h1-11,16,19-21,28H,12H2,(H,34,35)(H,36,37)(H2,24,25,30)(H2,31,32,33)/t16-,19-,20-,21+/m1/s1
• 国际化学标识检索码 InChIKey: PEJABEOPPRBHPT-OTNPHJDUSA-N

物理化学性质

• 密度: 1.9g/cm³ （计算值）
• 沸点: 963.378°C at 760 mmHg （计算值）
• 闪点: 536.431°C （计算值）