5-[6-(乙酰氧基甲基)-3-羟基-4-[5-羟基-4-甲氧基-6-甲基-5-(1-丙酰氧基乙基)四氢吡喃-2-基]氧基-5-[(E)-2-异硫氰酸基丁-2-烯酰基]氧基四氢吡喃-2-基]-2-氨基-5-羟基-3,6-二氧代环己烯-1-羧酸
[CAS# 113603-73-9]

基本信息

• 产品名称: 5-[6-(乙酰氧基甲基)-3-羟基-4-[5-羟基-4-甲氧基-6-甲基-5-(1-丙酰氧基乙基)四氢吡喃-2-基]氧基-5-[(E)-2-异硫氰酸基丁-2-烯酰基]氧基四氢吡喃-2-基]-2-氨基-5-羟基-3,6-二氧代环己烯-1-羧酸
• 英文名: 5-[6-(Acetyloxymethyl)-3-Hydroxy-4-[5-Hydroxy-4-Methoxy-6-Methyl-5-(1-Propanoyloxyethyl)Oxan-2-Yl]Oxy-5-[(E)-2-Isothiocyanatobut-2-Enoyl]Oxyoxan-2-Yl]-2-Amino-5-Hydroxy-3,6-Dioxocyclohexene-1-Carboxylic Acid
• 别名: 5-[6-(Acetoxymethyl)-3-Hydroxy-4-[5-Hydroxy-4-Methoxy-6-Methyl-5-(1-Propanoyloxyethyl)Tetrahydropyran-2-Yl]Oxy-5-[(E)-2-Isothiocyanatobut-2-Enoyl]Oxy-Tetrahydropyran-2-Yl]-2-Amino-5-Hydroxy-3,6-Dioxo-Cyclohexene-1-Carboxylic Acid; 5-[6-(Acetoxymethyl)-3-Hydroxy-4-[[5-Hydroxy-4-Methoxy-6-Methyl-5-[1-(1-Oxopropoxy)Ethyl]-2-Tetrahydropyranyl]Oxy]-5-[(E)-2-Isothiocyanato-1-Oxobut-2-Enoxy]-2-Tetrahydropyranyl]-2-Amino-5-Hydroxy-3,6-Dioxo-1-Cyclohexenecarboxylic Acid; 5-[6-(Acetoxymethyl)-3-Hydroxy-4-[5-Hydroxy-4-Methoxy-6-Methyl-5-(1-Propionyloxyethyl)Tetrahydropyran-2-Yl]Oxy-5-[(E)-2-Isothiocyanatobut-2-Enoyl]Oxy-Tetrahydropyran-2-Yl]-2-Amino-5-Hydroxy-3,6-Diketo-Cyclohexene-1-Carboxylic Acid
• 分子式: C₃₂H₄₂N₂O₁₇S
• 分子量: 758.75
• CAS 登录号: 113603-73-9
• 分子行输入简码 SMILES: S=C=NC(/C(OC2C(OC1OC(C(O)(C(OC)C1)C(OC(=O)CC)C)C)C(O)C(OC2COC(=O)C)C3(O)C(=O)C(=C(N)C(=O)C3)C(=O)O)=O)=C/C
• 国际化学标识码 InChI: 1S/C32H42N2O17S/c1-7-16(34-12-52)30(42)51-25-18(11-46-15(5)35)49-28(31(43)10-17(36)23(33)22(27(31)39)29(40)41)24(38)26(25)50-21-9-19(45-6)32(44,14(4)48-21)13(3)47-20(37)8-2/h7,13-14,18-19,21,24-26,28,38,43-44H,8-11,33H2,1-6H3,(H,40,41)/b16-7+
• 国际化学标识检索码 InChIKey: IAEYVQOVYXLKLD-FRKPEAEDSA-N

物理化学性质

• 密度: 1.534g/cm³ （计算值）
• 沸点: 880.896°C at 760 mmHg （计算值）
• 闪点: 486.548°C （计算值）