[5'-Chloro-6'-(2,2-dimethylpropanoyloxy)-1-oxo-7'-(3-oxobutyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-5-yl]-oxo-[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium;[5'-chloro-6'-(2,2-dimethylpropanoyloxy)-1-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-5-yl]-oxo-[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: [5'-Chloro-6'-(2,2-dimethylpropanoyloxy)-1-oxo-7'-(3-oxobutyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-5-yl]-oxo-[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium;[5'-chloro-6'-(2,2-dimethylpropanoyloxy)-1-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-5-yl]-oxo-[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium
• 英文别名: [5'-chloro-6'-(2,2-dimethylpropanoyloxy)-1-oxo-7'-(3-oxobutyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-5-yl]-oxo-[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium;[5'-chloro-6'-(2,2-dimethylpropanoyloxy)-1-oxo-7'-(3-oxopentyl)spiro[2-benzofuran-3,10'-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12-hexaene]-5-yl]-oxo-[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium
• 化学式: C83H86Cl2F6N4O18P2+2
• 分子量: 1674.4
• InChiKey: QQEBJHCQXZYCPA-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  16.24
• 重原子数：
  115
• 可旋转键数：
  27
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  275
• 氢给体数：
  2
• 氢受体数：
  26