[(2R,3R,4S,5R)-5-(4-氨基-5-碘-2-氧代嘧啶-1-基)-4-氟-3-羟基四氢呋喃-2-基]甲基(羟基-膦酰氧基磷酰)氢磷酸酯
[CAS# 79570-63-1]

基本信息

• 产品名称: [(2R,3R,4S,5R)-5-(4-氨基-5-碘-2-氧代嘧啶-1-基)-4-氟-3-羟基四氢呋喃-2-基]甲基(羟基-膦酰氧基磷酰)氢磷酸酯
• 英文名: [(2R,3R,4S,5R)-5-(4-Amino-5-Iodo-2-Oxopyrimidin-1-Yl)-4-Fluoro-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• 别名: [(2R,3R,4S,5R)-5-(4-Amino-5-Iodo-2-Oxo-Pyrimidin-1-Yl)-4-Fluoro-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3R,4S,5R)-5-(4-Amino-5-Iodo-2-Oxo-1-Pyrimidinyl)-4-Fluoro-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3R,4S,5R)-5-(4-Amino-5-Iodo-2-Keto-Pyrimidin-1-Yl)-4-Fluoro-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• 分子式: C₉H₁₄FIN₃O₁₃P₃
• 分子量: 611.05
• CAS 登录号: 79570-63-1
• 分子行输入简码 SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1F)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)N=C(N)C(=C2)I
• 国际化学标识码 InChI: 1S/C9H14FIN3O13P3/c10-5-6(15)4(25-8(5)14-1-3(11)7(12)13-9(14)16)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,15H,2H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t4-,5+,6-,8-/m1/s1
• 国际化学标识检索码 InChIKey: AZPQHUNTMPUUHB-BYPJNBLXSA-N

物理化学性质

• 密度: 2.829g/cm³ （计算值）
• 沸点: 824.467°C at 760 mmHg （计算值）
• 闪点: 452.422°C （计算值）