依托泊苷葡糖苷酸
[CAS# 100007-55-4]

基本信息

• 产品名称: 依托泊苷葡糖苷酸
• 英文名: Etoposide Glucuronide
• 别名: (2S,3S,4S,5R,6S)-6-[4-[(5R,5Ar,8Ar,9S)-9-[(7,8-Dihydroxy-2-Methyl-4,4A,6,7,8,8A-Hexahydropyrano[5,6-D][1,3]Dioxin-6-Yl)Oxy]-6-Oxo-5A,8,8A,9-Tetrahydro-5H-Isobenzofurano[5,6-F][1,3]Benzodioxol-5-Yl]-2,6-Dimethoxyphenoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylate; (2S,3S,4S,5R,6S)-6-[4-[(5R,5Ar,8Ar,9S)-9-[(7,8-Dihydroxy-2-Methyl-4,4A,6,7,8,8A-Hexahydropyrano[5,6-D][1,3]Dioxin-6-Yl)Oxy]-6-Keto-5A,8,8A,9-Tetrahydro-5H-Isobenzofurano[5,6-F][1,3]Benzodioxol-5-Yl]-2,6-Dimethoxy-Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylate; Glucuronosyletoposide
• 分子式: C₃₅H₃₉O₁₉
• 分子量: 763.68
• CAS 登录号: 100007-55-4
• 分子行输入简码 SMILES: [C@H]38[C@@H]([C@@H](C2=CC1=C(OCO1)C=C2[C@H]3OC5OC4C(OC(OC4)C)C(O)C5O)C7=CC(=C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C([O-])=O)C(=C7)OC)OC)C(OC8)=O
• 国际化学标识码 InChI: 1S/C35H40O19/c1-11-46-9-20-30(50-11)25(38)27(40)34(51-20)52-28-14-7-17-16(48-10-49-17)6-13(14)21(22-15(28)8-47-33(22)43)12-4-18(44-2)29(19(5-12)45-3)53-35-26(39)23(36)24(37)31(54-35)32(41)42/h4-7,11,15,20-28,30-31,34-40H,8-10H2,1-3H3,(H,41,42)/p-1/t11?,15-,20?,21+,22-,23-,24-,25?,26+,27?,28+,30?,31-,34?,35+/m0/s1
• 国际化学标识检索码 InChIKey: URCVASXWNJQAEH-KAYSAPKKSA-M

物理化学性质

• 沸点: 989.361°C at 760 mmHg （计算值）
• 闪点: 310.46°C （计算值）