7,10,13,16,26,31,41,44,47,50,60,65-dodecaoxa-4,19,38,53-tetrazaundecacyclo[64.2.2.222,25.232,35.256,59.12,19.12,21.14,21.136,53.136,55.138,55]dooctaconta-1(68),22(79),23,25(78),32(77),33,35(76),56,58,66,69,71-dodecaene-74,81-diol | 138434-69-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7,10,13,16,26,31,41,44,47,50,60,65-dodecaoxa-4,19,38,53-tetrazaundecacyclo[64.2.2.222,25.232,35.256,59.12,19.12,21.14,21.136,53.136,55.138,55]dooctaconta-1(68),22(79),23,25(78),32(77),33,35(76),56,58,66,69,71-dodecaene-74,81-diol
• CAS: 138434-69-2
• 化学式: C₆₆H₉₂N₄O₁₄
• 分子量: 1165.47
• InChiKey: MBRQNXFLEKXZNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  84
• 可旋转键数：
  0
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  164
• 氢给体数：
  2
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  7,10,13,16,26,31,41,44,47,50,60,65-dodecaoxa-4,19,38,53-tetrazaundecacyclo[64.2.2.222,25.232,35.256,59.12,19.12,21.14,21.136,53.136,55.138,55]dooctaconta-1(68),22(79),23,25(78),32(77),33,35(76),56,58,66,69,71-dodecaene-74,81-dione 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以68%的产率得到7,10,13,16,26,31,41,44,47,50,60,65-dodecaoxa-4,19,38,53-tetrazaundecacyclo[64.2.2.222,25.232,35.256,59.12,19.12,21.14,21.136,53.136,55.138,55]dooctaconta-1(68),22(79),23,25(78),32(77),33,35(76),56,58,66,69,71-dodecaene-74,81-diol
  参考文献：
  名称：

  Water-soluble cyclophane receptors with convergent functional groups

  摘要：

  DOI：

  10.1021/ja00030a077

文献信息

• Diederich Francois, Carcanague Daniel R., Helv. Chim. Acta, 77 (1994) N 3, S 800-818
  作者：Diederich Francois, Carcanague Daniel R.

  DOI：——

  日期：——