[(1R,6R,8R,9R)-8-[6-(丁酰基氨基)-8-硫代-7H-嘌呤-9-基]-3-羟基-3-氧代-2,4,7-三氧杂-3-磷杂双环[4.3.0]壬烷-9-基]丁酸酯
[CAS# 34409-10-4]

基本信息

• 产品名称: [(1R,6R,8R,9R)-8-[6-(丁酰基氨基)-8-硫代-7H-嘌呤-9-基]-3-羟基-3-氧代-2,4,7-三氧杂-3-磷杂双环[4.3.0]壬烷-9-基]丁酸酯
• 英文名: [(1R,6R,8R,9R)-8-[6-(Butanoylamino)-8-Sulfanylidene-7H-Purin-9-Yl]-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3-Phosphabicyclo[4.3.0]Nonan-9-Yl] Butanoate
• 别名: [(1R,6R,8R,9R)-8-[6-(Butanoylamino)-8-Thioxo-7H-Purin-9-Yl]-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Yl] Butanoate; Butanoic Acid [(1R,6R,8R,9R)-3-Hydroxy-3-Oxo-8-[6-(1-Oxobutylamino)-8-Thioxo-7H-Purin-9-Yl]-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Yl] Ester; Butyric Acid [(1R,6R,8R,9R)-8-(6-Butyramido-8-Thioxo-7H-Purin-9-Yl)-3-Hydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Yl] Ester
• 分子式: C₁₈H₂₄N₅O₈PS
• 分子量: 501.45
• CAS 登录号: 34409-10-4
• 分子行输入简码 SMILES: [C@H]12O[C@H]([C@H](OC(CCC)=O)[C@@H]1O[P](OC2)(=O)O)N3C(NC4=C3N=CN=C4NC(CCC)=O)=S
• 国际化学标识码 InChI: 1S/C18H24N5O8PS/c1-3-5-10(24)21-15-12-16(20-8-19-15)23(18(33)22-12)17-14(30-11(25)6-4-2)13-9(29-17)7-28-32(26,27)31-13/h8-9,13-14,17H,3-7H2,1-2H3,(H,22,33)(H,26,27)(H,19,20,21,24)/t9-,13-,14-,17-/m1/s1
• 国际化学标识检索码 InChIKey: OKDBZYGQWTWGHH-KRQFVHPKSA-N

物理化学性质

• 密度: 1.58g/cm³ （计算值）