4-[2-[3-[[4-[[[5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基-四氢呋喃-2-基]甲氧基-羟基-磷酰]氧基-羟基-磷酰]氧基-2-羟基-3,3-二甲基-丁酰基]氨基]丙酰氨基]乙硫基羰基]丁-3-烯酸
[CAS# 6712-05-6]

基本信息

• 产品名称: 4-[2-[3-[[4-[[[5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基-四氢呋喃-2-基]甲氧基-羟基-磷酰]氧基-羟基-磷酰]氧基-2-羟基-3,3-二甲基-丁酰基]氨基]丙酰氨基]乙硫基羰基]丁-3-烯酸
• 英文名: 4-[2-[3-[[4-[[[5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethylsulfanylcarbonyl]But-3-Enoic Acid
• 别名: 5-[2-[3-[[4-[[[5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxy-3,3-Dimethylbutanoyl]Amino]Propanoylamino]Ethylsulfanyl]-5-Oxopent-3-Enoic Acid; 5-[2-[3-[[4-[[[5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethylsulfanyl]-5-Oxo-Pent-3-Enoic Acid; (E)-5-[2-[3-[[4-[[[5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethylsulfanyl]-5-Oxo-Pent-3-Enoic Acid
• 分子式: C₂₆H₄₀N₇O₁₉P₃S
• 分子量: 879.62
• CAS 登录号: 6712-05-6
• 分子行输入简码 SMILES: C2=NC1=C(N=CN=C1[N]2C3OC(C(O[P](=O)(O)O)C3O)CO[P](O[P](OCC(C(O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CC(=O)O)(C)C)(=O)O)(=O)O)N
• 国际化学标识码 InChI: 1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b5-3+
• 国际化学标识检索码 InChIKey: URTLOTISFJPPOU-HWKANZROSA-N

物理化学性质

• 密度: 1.877g/cm³ （计算值）