保洛霉素D
[CAS# 101411-67-0]

基本信息

• 产品名称: 保洛霉素D
• 英文名: Paulomycin D
• 别名: 5-[4-[5-(1-Acetoxyethyl)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-(Acetoxymethyl)-3-Hydroxy-5-[(Z)-2-Isothiocyanatobut-2-Enoyl]Oxy-Tetrahydropyran-2-Yl]-2-Amino-5-Hydroxy-3,6-Dioxo-Cyclohexene-1-Carboxylic Acid; 5-[4-[[5-(1-Acetoxyethyl)-5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-(Acetoxymethyl)-3-Hydroxy-5-[(Z)-2-Isothiocyanato-1-Oxobut-2-Enoxy]-2-Tetrahydropyranyl]-2-Amino-5-Hydroxy-3,6-Dioxo-1-Cyclohexenecarboxylic Acid; 5-[4-[5-(1-Acetoxyethyl)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-(Acetoxymethyl)-3-Hydroxy-5-[(Z)-2-Isothiocyanatobut-2-Enoyl]Oxy-Tetrahydropyran-2-Yl]-2-Amino-5-Hydroxy-3,6-Diketo-Cyclohexene-1-Carboxylic Acid
• 分子式: C₃₁H₄₀N₂O₁₇S
• 分子量: 744.72
• CAS 登录号: 101411-67-0
• 分子行输入简码 SMILES: S=C=NC(/C(OC2C(OC1OC(C(O)(C(OC)C1)C(OC(=O)C)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/C31H40N2O17S/c1-7-16(33-11-51)29(41)50-24-18(10-45-14(4)34)48-27(30(42)9-17(36)22(32)21(26(30)38)28(39)40)23(37)25(24)49-20-8-19(44-6)31(43,13(3)47-20)12(2)46-15(5)35/h7,12-13,18-20,23-25,27,37,42-43H,8-10,32H2,1-6H3,(H,39,40)/b16-7-
• 国际化学标识检索码 InChIKey: QGUOEWOTWMAHCV-APSNUPSMSA-N

物理化学性质

• 密度: 1.557g/cm³ （计算值）
• 沸点: 875.556°C at 760 mmHg （计算值）
• 闪点: 483.319°C （计算值）