[(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基[羟基-(羟基-膦酰氧基磷酰)氧基磷酰]氢磷酸酯
[CAS# 1062-98-2]

基本信息

• 产品名称: [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基[羟基-(羟基-膦酰氧基磷酰)氧基磷酰]氢磷酸酯
• 英文名: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl] Hydrogen Phosphate
• 别名: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl [Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl] Hydrogen Phosphate
• 分子式: C₁₀H₁₇N₅O₁₆P₄
• 分子量: 587.16
• CAS 登录号: 1062-98-2
• 分子行输入简码 SMILES: [C@H]3([N]2C1=C(C(=NC=N1)N)N=C2)[C@@H]([C@H](O)[C@H](O3)CO[P](O[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)(=O)O)O
• 国际化学标识码 InChI: 1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
• 国际化学标识检索码 InChIKey: WWMWAMFHUSTZTA-KQYNXXCUSA-N

物理化学性质

• 密度: 2.747g/cm³ （计算值）
• 沸点: 1020.725°C at 760 mmHg （计算值）
• 闪点: 571.114°C （计算值）