2-丙烯酸2-[[(1-氧代-2-丙烯基)氧基]甲基]-2-[[[[[[1,3,3-三甲基 -5-[[[3-[(1-氧代-2-丙烯基)氧基]-2,2-双[[(1-氧代-2-丙烯基)氧基]甲基]丙氧基]羰基]氨基]环己基] 甲基]氨基]羰基]氧基]甲基]-1,3-丙二基酯

2-Propenoic acid, 1,1'-[2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-2-[[[[[[1,3,3-trimethyl-5-[[[3-[(1-oxo-2-propen-1-yl)oxy]-2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]propoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]methyl]-1,3-propanediyl] ester · CAS 101162-60-1

中文名: 2-丙烯酸2-[[(1-氧代-2-丙烯基)氧基]甲基]-2-[[[[[[1,3,3-三甲基 -5-[[[3-[(1-氧代-2-丙烯基)氧基]-2,2-双[[(1-氧代-2-丙烯基)氧基]甲基]丙氧基]羰基]氨基]环己基] 甲基]氨基]羰基]氧基]甲基]-1,3-丙二基酯
中文别名: 暂无
英文名: 2-Propenoic acid, 1,1'-[2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-2-[[[[[[1,3,3-trimethyl-5-[[[3-[(1-oxo-2-propen-1-yl)oxy]-2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]propoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]methyl]-1,3-propanediyl] ester
CAS: 101162-60-1
CID: 58676083
IUPAC 名称: [2,2-bis(prop-2-enoyloxymethyl)-3-[[1,3,3-trimethyl-5-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]cyclohexyl]methylcarbamoyloxy]propyl] prop-2-enoate

名称与编号

中文名: 2-丙烯酸2-[[(1-氧代-2-丙烯基)氧基]甲基]-2-[[[[[[1,3,3-三甲基 -5-[[[3-[(1-氧代-2-丙烯基)氧基]-2,2-双[[(1-氧代-2-丙烯基)氧基]甲基]丙氧基]羰基]氨基]环己基] 甲基]氨基]羰基]氧基]甲基]-1,3-丙二基酯
中文别名: 暂无
英文名: 2-Propenoic acid, 1,1'-[2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-2-[[[[[[1,3,3-trimethyl-5-[[[3-[(1-oxo-2-propen-1-yl)oxy]-2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]propoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]methyl]-1,3-propanediyl] ester
CAS: 101162-60-1
CID: 58676083
IUPAC 名称: [2,2-bis(prop-2-enoyloxymethyl)-3-[[1,3,3-trimethyl-5-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]cyclohexyl]methylcarbamoyloxy]propyl] prop-2-enoate

分子属性

分子式: C40H54N2O16
分子量: 818.9 g/mol
精确质量: 818.34733364 Da
单同位素质量: 818.34733364 Da
XLogP: 5.5
极性表面积: 234 Å²
氢键供体: 2
氢键受体: 16
可旋转键: 33
重原子数: 58
净电荷: 0
结构复杂度: 1460

结构标识

InChIKey: ZTGXBJGBQKUALH-UHFFFAOYSA-N
SMILES: CC1(CC(CC(C1)(C)CNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C
InChI: InChI=1S/C40H54N2O16/c1-10-29(43)51-20-39(21-52-30(44)11-2,22-53-31(45)12-3)26-57-35(49)41-19-38(9)17-28(16-37(7,8)18-38)42-36(50)58-27-40(23-54-32(46)13-4,24-55-33(47)14-5)25-56-34(48)15-6/h10-15,28H,1-6,16-27H2,7-9H3,(H,41,49)(H,42,50)