3,6,9,23,26,29,32,35,49,52,55,69,72,75,78,81-Hexadecaoxatridecacyclo[65.25.1.111,37.121,47.157,83.02,89.010,15.017,22.036,41.043,48.056,61.063,68.082,87]hexanonaconta-1(92),2(89),10(15),11,13,17(22),18,20,36,38,40,43,45,47,56,58,60,63,65,67,82(87),83,85,90-tetracosaene

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,6,9,23,26,29,32,35,49,52,55,69,72,75,78,81-Hexadecaoxatridecacyclo[65.25.1.111,37.121,47.157,83.02,89.010,15.017,22.036,41.043,48.056,61.063,68.082,87]hexanonaconta-1(92),2(89),10(15),11,13,17(22),18,20,36,38,40,43,45,47,56,58,60,63,65,67,82(87),83,85,90-tetracosaene
• 化学式: C₈₀H₈₈O₁₆
• 分子量: 1305.57
• InChiKey: MCMPGZYOXMNHMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.1
• 重原子数：
  96
• 可旋转键数：
  0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  148
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  calix[4]arene-crown-5 在 sodium hydroxide 、 caesium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 72.0h， 生成 3,6,9,23,26,29,32,35,49,52,55,69,72,75,78,81-Hexadecaoxatridecacyclo[65.25.1.111,37.121,47.157,83.02,89.010,15.017,22.036,41.043,48.056,61.063,68.082,87]hexanonaconta-1(92),2(89),10(15),11,13,17(22),18,20,36,38,40,43,45,47,56,58,60,63,65,67,82(87),83,85,90-tetracosaene
  参考文献：
  名称：

  Modular chemistry. Double- and multi-1,3-alternate-calixcrowns

  摘要：

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02657-6

文献信息

• Modular chemistry. Double- and multi-1,3-alternate-calixcrowns
  作者：Sung Kuk Kim、Wonbo Sim、Jacques Vicens、Jong Seung Kim

  DOI：10.1016/s0040-4039(02)02657-6

  日期：2003.1

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.