(2S,3S,4S,5R,6S)-6-(5,6-二羟基-4-氧代-2-苯基-苯并吡喃-7-基)氧基-3,4,5-三羟基-四氢吡喃-2-羧酸
[CAS# 31564-28-0]

基本信息

• 产品名称: (2S,3S,4S,5R,6S)-6-(5,6-二羟基-4-氧代-2-苯基-苯并吡喃-7-基)氧基-3,4,5-三羟基-四氢吡喃-2-羧酸
• 英文名: (2S,3S,4S,5R,6S)-6-(5,6-Dihydroxy-4-Oxo-2-Phenyl-Chromen-7-Yl)Oxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• 别名: (2S,3S,4S,5R,6S)-6-(5,6-Dihydroxy-4-Oxo-2-Phenyl-Chromen-7-Yl)Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[(5,6-Dihydroxy-4-Oxo-2-Phenyl-7-Chromenyl)Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-(5,6-Dihydroxy-4-Keto-2-Phenyl-Chromen-7-Yl)Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• 分子式: C₂₁H₁₈O₁₁
• 分子量: 446.37
• CAS 登录号: 31564-28-0
• 分子行输入简码 SMILES: [C@@H]4(OC1=CC2=C(C(=C1O)O)C(C=C(O2)C3=CC=CC=C3)=O)O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)C(O)=O
• 国际化学标识码 InChI: 1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
• 国际化学标识检索码 InChIKey: IKIIZLYTISPENI-ZFORQUDYSA-N

物理化学性质

• 密度: 1.738g/cm³ （计算值）
• 沸点: 836.624°C at 760 mmHg （计算值）
• 闪点: 297.191°C （计算值）