2'-脱氧-2'-氟鸟苷酰-(3'-5')尿苷
[CAS# 80681-27-2]

基本信息

• 产品名称: 2'-脱氧-2'-氟鸟苷酰-(3'-5')尿苷
• 英文名: 2'-Deoxy-2'-Fluoroguanylyl-(3'-5')Uridine
• 别名: [(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Fluoro-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Fluoro-2-(Hydroxymethyl)-3-Tetrahydrofuranyl] [(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3R,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-4-Fluoro-2-Methylol-Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• 分子式: C₁₉H₂₃FN₇O₁₂P
• 分子量: 591.40
• CAS 登录号: 80681-27-2
• 分子行输入简码 SMILES: [C@H]3(O[C@@H]([C@@H](O[P](OC[C@H]2O[C@@H](N1C(=O)NC(=O)C=C1)[C@H](O)[C@@H]2O)(=O)O)[C@H]3F)CO)[N]4C5=C(N=C4)C(=O)N=C(N5)N
• 国际化学标识码 InChI: 1S/C19H23FN7O12P/c20-9-13(6(3-28)37-16(9)27-5-22-10-14(27)24-18(21)25-15(10)32)39-40(34,35)36-4-7-11(30)12(31)17(38-7)26-2-1-8(29)23-19(26)33/h1-2,5-7,9,11-13,16-17,28,30-31H,3-4H2,(H,34,35)(H,23,29,33)(H3,21,24,25,32)/t6-,7-,9-,11-,12-,13-,16-,17-/m1/s1
• 国际化学标识检索码 InChIKey: YTGFRUKCLFTRHG-FOJQSULLSA-N

物理化学性质

• 密度: 2.275g/cm³ （计算值）