27-[[6-(2,5-Dihydroxypyrrol-1-yl)oxy-6-oxohexyl]carbamoyl]-8,8,39-trimethyl-25,33-dioxo-50-(4-sulfobutyl)-26,32,50-triaza-19-azoniaheptacyclo[37.11.0.07,19.09,18.010,15.040,49.041,46]pentaconta-1,3,5,7(19),9(18),10(15),11,13,16,40(49),41(46),42,44,47-tetradecaene-12,14,43,45-tetrasulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 27-[[6-(2,5-Dihydroxypyrrol-1-yl)oxy-6-oxohexyl]carbamoyl]-8,8,39-trimethyl-25,33-dioxo-50-(4-sulfobutyl)-26,32,50-triaza-19-azoniaheptacyclo[37.11.0.07,19.09,18.010,15.040,49.041,46]pentaconta-1,3,5,7(19),9(18),10(15),11,13,16,40(49),41(46),42,44,47-tetradecaene-12,14,43,45-tetrasulfonic acid
• 英文别名: 27-[[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-oxohexyl]carbamoyl]-8,8,39-trimethyl-25,33-dioxo-50-(4-sulfobutyl)-26,32,50-triaza-19-azoniaheptacyclo[37.11.0.07,19.09,18.010,15.040,49.041,46]pentaconta-1,3,5,7(19),9(18),10(15),11,13,16,40(49),41(46),42,44,47-tetradecaene-12,14,43,45-tetrasulfonic acid
• 化学式: C64H81N6O22S5+
• 分子量: 1446.7
• InChiKey: XHEBTCZDHSMASF-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  97
• 可旋转键数：
  18
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  479
• 氢给体数：
  10
• 氢受体数：
  23