[(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-4-羟基-2-[[羟基-[羟基-[(3R)-3-羟基-2,2-二甲基-3-[2-[2-(2-甲基丙烷酰基硫基)乙基氨基甲酰]乙基氨基甲酰]丙氧基]磷酰]氧基-磷酰]氧基甲基]四氢呋喃-3-基]氧基膦酸
[CAS# 15621-60-0]

基本信息

• 产品名称: [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-4-羟基-2-[[羟基-[羟基-[(3R)-3-羟基-2,2-二甲基-3-[2-[2-(2-甲基丙烷酰基硫基)乙基氨基甲酰]乙基氨基甲酰]丙氧基]磷酰]氧基-磷酰]氧基甲基]四氢呋喃-3-基]氧基膦酸
• 英文名: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-[Hydroxy-[(3R)-3-Hydroxy-2,2-Dimethyl-3-[2-[2-(2-Methylpropanoylsulfanyl)Ethylcarbamoyl]Ethylcarbamoyl]Propoxy]Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Oxolan-3-Yl]Oxyphosphonic Acid
• 别名: S-[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]Ethyl] 2-Methylpropanethioate; 2-Methylpropanethioic Acid S-[2-[[3-[[4-[[[5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]Ethyl] Ester; 2-Methylpropanethioic Acid S-[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]Ethyl] Ester
• 分子式: C₂₅H₄₂N₇O₁₇P₃S
• 分子量: 837.62
• CAS 登录号: 15621-60-0
• 分子行输入简码 SMILES: C1=NC3=C([N]1C2C(C(O[P](O)(=O)O)C(O2)CO[P](O[P](OCC(C(C(NCCC(NCCSC(C(C)C)=O)=O)=O)O)(C)C)(O)=O)(O)=O)O)N=CN=C3N
• 国际化学标识码 InChI: 1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)
• 国际化学标识检索码 InChIKey: AEWHYWSPVRZHCT-UHFFFAOYSA-N

物理化学性质

• 密度: 1.835g/cm³ （计算值）