2-[[15,22,29,37,44-Pentakis(carboxymethoxy)-9,13,31,35,45,49-hexaoxadecacyclo[21.21.5.38,39.317,30.114,18.136,40.03,42.020,25.05,52.027,55]heptapentaconta-1(44),2,5,7,14,16,18(57),20,22,24,27,29,36,38,40(50),42,52,54-octadecaen-7-yl]oxy]acetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[[15,22,29,37,44-Pentakis(carboxymethoxy)-9,13,31,35,45,49-hexaoxadecacyclo[21.21.5.38,39.317,30.114,18.136,40.03,42.020,25.05,52.027,55]heptapentaconta-1(44),2,5,7,14,16,18(57),20,22,24,27,29,36,38,40(50),42,52,54-octadecaen-7-yl]oxy]acetic acid
• 英文别名: 2-[[15,22,29,37,44-pentakis(carboxymethoxy)-9,13,31,35,45,49-hexaoxadecacyclo[21.21.5.38,39.317,30.114,18.136,40.03,42.020,25.05,52.027,55]heptapentaconta-1(44),2,5,7,14,16,18(57),20,22,24,27,29,36,38,40(50),42,52,54-octadecaen-7-yl]oxy]acetic acid
• 化学式: C₆₃H₆₀O₂₄
• 分子量: 1201.15
• InChiKey: CJWXREJYLVQLRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  87
• 可旋转键数：
  18
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  335
• 氢给体数：
  6
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2-[[15,22,29,37,44-Pentakis(carboxymethoxy)-9,13,31,35,45,49-hexaoxadecacyclo[21.21.5.38,39.317,30.114,18.136,40.03,42.020,25.05,52.027,55]heptapentaconta-1(44),2,5,7,14,16,18(57),20,22,24,27,29,36,38,40(50),42,52,54-octadecaen-7-yl]oxy]acetic acid
  参考文献：
  名称：

  Remarkable effect of the receptor size in the binding of acetylcholine and related ammonium ions to water-soluble cryptophanes

  摘要：

  DOI：

  10.1021/ja00077a096

文献信息

• US8791092B2
  申请人：——

  公开号：US8791092B2

  公开（公告）日：2014-07-29