[(2R,3S,4R,5R)-3,4-二羟基-5-(5-氧代-1H-四唑并[5,1-b]嘌呤-8-基)四氢呋喃-2-基]甲基(羟基-膦酰氧基磷酰)氢磷酸酯
[CAS# 77044-71-4]

基本信息

• 产品名称: [(2R,3S,4R,5R)-3,4-二羟基-5-(5-氧代-1H-四唑并[5,1-b]嘌呤-8-基)四氢呋喃-2-基]甲基(羟基-膦酰氧基磷酰)氢磷酸酯
• 英文名: [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-Oxo-1H-Tetrazolo[5,1-b]Purin-8-Yl)Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• 别名: [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-Oxo-1H-Tetrazolo[5,1-B]Purin-8-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-Oxo-1H-Tetrazolo[5,1-B]Purin-8-Yl)-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-Keto-1H-Tetrazolo[5,1-B]Purin-8-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• 分子式: C₁₀H₁₄N₇O₁₄P₃
• 分子量: 549.18
• CAS 登录号: 77044-71-4
• 分子行输入简码 SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=O)N=C4N3NN=N4
• 国际化学标识码 InChI: 1S/C10H14N7O14P3/c18-5-3(1-28-33(24,25)31-34(26,27)30-32(21,22)23)29-9(6(5)19)16-2-11-4-7(20)12-10-13-14-15-17(10)8(4)16/h2-3,5-6,9,18-19H,1H2,(H,24,25)(H,26,27)(H2,21,22,23)(H,12,13,15,20)/t3-,5-,6-,9-/m1/s1
• 国际化学标识检索码 InChIKey: RHRPWIGJGVLBSI-UUOKFMHZSA-N

物理化学性质

• 密度: 2.977g/cm³ （计算值）
• 沸点: 989.691°C at 760 mmHg （计算值）
• 闪点: 552.345°C （计算值）