5-苯基-5-(4-羟基苯基)海因葡糖苷酸
[CAS# 53819-79-7]

基本信息

• 产品名称: 5-苯基-5-(4-羟基苯基)海因葡糖苷酸
• 英文名: 5-Phenyl-5-(4-Hydroxyphenyl)Hydantoin Glucuronide
• 别名: (2S,3S,4S,5R)-6-[4-(2,5-Dioxo-4-Phenyl-Imidazolidin-4-Yl)Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-6-[4-(2,5-Dioxo-4-Phenyl-4-Imidazolidinyl)Phenoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R)-6-[4-(2,5-Diketo-4-Phenyl-Imidazolidin-4-Yl)Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• 分子式: C₂₁H₂₀N₂O₉
• 分子量: 444.40
• CAS 登录号: 53819-79-7
• 分子行输入简码 SMILES: [C@@H]4(C(OC3=CC=C(C1(NC(=O)NC1=O)C2=CC=CC=C2)C=C3)O[C@@H]([C@H]([C@@H]4O)O)C(=O)O)O
• 国际化学标识码 InChI: 1S/C21H20N2O9/c24-13-14(25)16(17(27)28)32-18(15(13)26)31-12-8-6-11(7-9-12)21(10-4-2-1-3-5-10)19(29)22-20(30)23-21/h1-9,13-16,18,24-26H,(H,27,28)(H2,22,23,29,30)/t13-,14-,15+,16-,18?,21?/m0/s1
• 国际化学标识检索码 InChIKey: RCYKZSJKDMUDIE-MXYJCWFVSA-N

物理化学性质

• 密度: 1.58g/cm³ （计算值）