[(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-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]萘-1-羧酸酯
[CAS# 76152-01-7]

基本信息

• 产品名称: [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-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]萘-1-羧酸酯
• 英文名: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]Oxolan-3-Yl] Naphthalene-1-Carboxylate
• 别名: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Naphthalene-1-Carboxylate; 1-Naphthalenecarboxylic Acid [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-3-Tetrahydrofuranyl] Ester; Naphthalene-1-Carboxylic Acid [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Ester
• 分子式: C₂₁H₂₂N₅O₁₄P₃
• 分子量: 661.35
• CAS 登录号: 76152-01-7
• 分子行输入简码 SMILES: [C@@H]1(CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[C@H]([C@@H](O)[C@@H](O1)[N]2C=NC3=C2N=CN=C3N)OC(C4=C5C(=CC=C4)C=CC=C5)=O
• 国际化学标识码 InChI: 1S/C21H22N5O14P3/c22-18-15-19(24-9-23-18)26(10-25-15)20-16(27)17(38-21(28)13-7-3-5-11-4-1-2-6-12(11)13)14(37-20)8-36-42(32,33)40-43(34,35)39-41(29,30)31/h1-7,9-10,14,16-17,20,27H,8H2,(H,32,33)(H,34,35)(H2,22,23,24)(H2,29,30,31)/t14-,16-,17-,20-/m1/s1
• 国际化学标识检索码 InChIKey: SDHBQQJZCDASLQ-WVSUBDOOSA-N

物理化学性质

• 密度: 2.079g/cm³ （计算值）
• 沸点: 1015.833°C at 760 mmHg （计算值）
• 闪点: 568.155°C （计算值）