4-(2-羧基-6-羟基苯甲酰基)-3,5-二羟基-苯甲酸 (3R,4R)-六氢-3-[(4-羟基苯甲酰基)氨基]-1H-氮杂卓-4-基酯
[CAS# 63590-19-2]

基本信息

• 产品名称: 4-(2-羧基-6-羟基苯甲酰基)-3,5-二羟基-苯甲酸 (3R,4R)-六氢-3-[(4-羟基苯甲酰基)氨基]-1H-氮杂卓-4-基酯
• 英文名: 4-(2-Carboxy-6-Hydroxybenzoyl)-3,5-Dihydroxy-Benzoic Acid (3R,4R)-Hexahydro-3-[(4-Hydroxybenzoyl)Amino]-1H-Azepin-4-Yl Ester
• 别名: (4Z)-4-[(2-Carboxy-6-Hydroxy-Phenyl)-Hydroxy-Methylene]-3-Hydroxy-1-[(3R,4R)-3-[(4-Hydroxybenzoyl)Amino]-2,3,4,5-Tetrahydro-1H-Azepin-4-Yl]-5-Oxo-Cyclohex-2-Ene-1-Carboxylic Acid; (4Z)-4-[(2-Carboxy-6-Hydroxyphenyl)-Hydroxymethylene]-3-Hydroxy-1-[(3R,4R)-3-[[(4-Hydroxyphenyl)-Oxomethyl]Amino]-2,3,4,5-Tetrahydro-1H-Azepin-4-Yl]-5-Oxo-1-Cyclohex-2-Enecarboxylic Acid; (4Z)-4-[(2-Carboxy-6-Hydroxy-Phenyl)-Hydroxy-Methylene]-3-Hydroxy-1-[(3R,4R)-3-[(4-Hydroxybenzoyl)Amino]-2,3,4,5-Tetrahydro-1H-Azepin-4-Yl]-5-Keto-Cyclohex-2-Ene-1-Carboxylic Acid
• 分子式: C₂₈H₂₆N₂O₁₀
• 分子量: 550.52
• CAS 登录号: 63590-19-2
• 分子行输入简码 SMILES: [C@@H]4(C1(CC(=O)\C(C(=C1)O)=C(O)\C2=C(C=CC=C2O)C(O)=O)C(O)=O)[C@@H](NC(=O)C3=CC=C(O)C=C3)CNC=CC4
• 国际化学标识码 InChI: 1S/C28H26N2O10/c31-15-8-6-14(7-9-15)25(36)30-18-13-29-10-2-4-17(18)28(27(39)40)11-20(33)23(21(34)12-28)24(35)22-16(26(37)38)3-1-5-19(22)32/h1-3,5-11,17-18,29,31-33,35H,4,12-13H2,(H,30,36)(H,37,38)(H,39,40)/b24-23-/t17-,18-,28?/m0/s1
• 国际化学标识检索码 InChIKey: AAHDJEGSJGYRGS-IHYXAKMNSA-N

物理化学性质

• 密度: 1.626g/cm³ （计算值）
• 沸点: 935.856°C at 760 mmHg （计算值）
• 闪点: 519.787°C （计算值）