(2S,3S,4S,5R,6S)-6-[5,7-二羟基-4-氧代-2-(3,4,5-三羟基苯基)苯并吡喃-3-基]氧基-3,4,5-三羟基四氢吡喃-2-羧酸
[CAS# 77363-65-6]

基本信息

• 产品名称: (2S,3S,4S,5R,6S)-6-[5,7-二羟基-4-氧代-2-(3,4,5-三羟基苯基)苯并吡喃-3-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-[5,7-Dihydroxy-4-Oxo-2-(3,4,5-Trihydroxyphenyl)Chromen-3-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• 别名: (2S,3S,4S,5R,6S)-6-[5,7-Dihydroxy-4-Oxo-2-(3,4,5-Trihydroxyphenyl)Chromen-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[5,7-Dihydroxy-4-Oxo-2-(3,4,5-Trihydroxyphenyl)-3-Chromenyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[5,7-Dihydroxy-4-Keto-2-(3,4,5-Trihydroxyphenyl)Chromen-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• 分子式: C₂₁H₁₈O₁₄
• 分子量: 494.36
• CAS 登录号: 77363-65-6
• 分子行输入简码 SMILES: [C@@H]4(O[C@@H](OC1=C(OC2=C(C1=O)C(=CC(=C2)O)O)C3=CC(=C(O)C(=C3)O)O)[C@@H]([C@@H](O)[C@@H]4O)O)C(=O)O
• 国际化学标识码 InChI: 1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15-,16+,19-,21+/m0/s1
• 国际化学标识检索码 InChIKey: MBWOCQLTCWTIJE-ZUGPOPFOSA-N

物理化学性质

• 密度: 2.053g/cm³ （计算值）
• 沸点: 1016.347°C at 760 mmHg （计算值）
• 闪点: 353.769°C （计算值）