(2S,3S,4S,5R,6S)-6-[2-[(3-羧基-2-甲基苯基)氨基]苯甲酰基]氧基-3,4,5-三羟基四氢吡喃-2-羧酸
[CAS# 152832-30-9]

基本信息

• 产品名称: (2S,3S,4S,5R,6S)-6-[2-[(3-羧基-2-甲基苯基)氨基]苯甲酰基]氧基-3,4,5-三羟基四氢吡喃-2-羧酸
• 英文名: (2S,3S,4S,5R,6S)-6-[2-[(3-Carboxy-2-Methylphenyl)Amino]Benzoyl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• 别名: (2S,3S,4S,5R,6S)-6-[2-[(3-Carboxy-2-Methyl-Phenyl)Amino]Benzoyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[2-[(3-Carboxy-2-Methylphenyl)Amino]Phenyl]-Oxomethoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-[(3-Carboxy-2-Methyl-Phenyl)Amino]Phenyl]Carbonyloxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• 分子式: C₂₁H₂₁NO₁₀
• 分子量: 447.40
• CAS 登录号: 152832-30-9
• 分子行输入简码 SMILES: [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)OC(C2=CC=CC=C2NC3=CC=CC(=C3C)C(=O)O)=O
• 国际化学标识码 InChI: 1S/C21H21NO10/c1-9-10(18(26)27)6-4-8-12(9)22-13-7-3-2-5-11(13)20(30)32-21-16(25)14(23)15(24)17(31-21)19(28)29/h2-8,14-17,21-25H,1H3,(H,26,27)(H,28,29)/t14-,15-,16+,17-,21-/m0/s1
• 国际化学标识检索码 InChIKey: QTCMFDMVQUHRND-QYRAFCHESA-N

物理化学性质

• 密度: 1.614g/cm³ （计算值）
• 沸点: 739.524°C at 760 mmHg （计算值）
• 闪点: 401.05°C （计算值）