波尔霉素
[CAS# 117192-99-1]

基本信息

• 产品名称: 波尔霉素
• 英文名: Boholmycin
• 别名: [4-[4-Amino-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5-Carbamoyloxy-2-[5-[6-(1,2-Dihydroxyethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-3-Methylamino-Tetrahydropyran-2-Yl]Oxy-3,6-Dihydroxy-Cyclohexyl] Carbamate; Carbamic Acid [4-[[4-Amino-3,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5-Carbamoyloxy-2-[[5-[[6-(1,2-Dihydroxyethyl)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-3-Methylamino-2-Tetrahydropyranyl]Oxy]-3,6-Dihydroxycyclohexyl] Ester; Carbamic Acid [4-(4-Amino-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-5-Carbamoyloxy-2-[5-[6-(1,2-Dihydroxyethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-3-Methylamino-Tetrahydropyran-2-Yl]Oxy-3,6-Dihydroxy-Cyclohexyl] Ester
• 分子式: C₂₇H₄₈N₄O₂₁
• 分子量: 764.69
• CAS 登录号: 117192-99-1
• 分子行输入简码 SMILES: C(C4OC(OC3C(C(OC1OCC(C(C1NC)O)OC2OC(C(O)CO)C(O)C(O)C2O)C(C(C3OC(N)=O)O)OC(N)=O)O)C(C(C4O)N)O)O
• 国际化学标识码 InChI: 1S/C27H48N4O21/c1-31-9-11(36)7(47-25-15(40)13(38)14(39)18(48-25)5(34)2-32)4-45-23(9)49-19-16(41)20(22(52-27(30)44)17(42)21(19)51-26(29)43)50-24-12(37)8(28)10(35)6(3-33)46-24/h5-25,31-42H,2-4,28H2,1H3,(H2,29,43)(H2,30,44)
• 国际化学标识检索码 InChIKey: JPGBWUBDJIISRF-UHFFFAOYSA-N

物理化学性质

• 密度: 1.751g/cm³ （计算值）
• 沸点: 1171.406°C at 760 mmHg （计算值）
• 闪点: 662.242°C （计算值）