[3-Acetyloxy-2-(acetyloxymethyl)-2-[[2,14,14-tris[[1,3-diacetyloxy-2-(acetyloxymethyl)propan-2-yl]carbamoyl]pentaspiro[3.1.1.1.1.312.110.18.16.14]nonadecane-2-carbonyl]amino]propyl] acetate | 147228-63-5

• 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: [3-Acetyloxy-2-(acetyloxymethyl)-2-[[2,14,14-tris[[1,3-diacetyloxy-2-(acetyloxymethyl)propan-2-yl]carbamoyl]pentaspiro[3.1.1.1.1.312.110.18.16.14]nonadecane-2-carbonyl]amino]propyl] acetate
• CAS: 147228-63-5
• 化学式: C₆₃H₈₈N₄O₂₈
• 分子量: 1349.4
• InChiKey: BBGHSDMBJYJQSN-UHFFFAOYSA-N

物化性质

• 沸点：
  1228.7±65.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  95
• 可旋转键数：
  44
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  432
• 氢给体数：
  4
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  [3-Acetyloxy-2-(acetyloxymethyl)-2-[[2,14,14-tris[[1,3-diacetyloxy-2-(acetyloxymethyl)propan-2-yl]carbamoyl]pentaspiro[3.1.1.1.1.312.110.18.16.14]nonadecane-2-carbonyl]amino]propyl] acetate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 10.0h， 以90%的产率得到N,N',N'',N'''-tetrakis<2-hydroxy-1,1-bis(hydroxymethyl)ethyl>pentaspiro<3.1.1.1.1.3.1.1.1.1>nonadecane-2,2,14,14-tetracarboxamide
  参考文献：
  名称：

  Cascade polymer series. 27. Two-directional cascade polymer synthesis: effects of core variation

  摘要：

  A series of two-directional arborols possessing spirane or biphenyl cores has been prepared in order to evaluate steric parameters in molecular packing necessary for aggregation. The core molecules were prepared by known procedures and structurally confirmed by H-1 and C-13 NMR spectra. The resultant arborols failed to aggregate in an aqueous environment supporting the computationally generated picture depicting the molecular interactions during the initial stages of gelation.

  DOI：

  10.1021/jo00063a036
• 作为产物：
  描述：

  乙酸酐 、 N,N',N'',N'''-tetrakis<2-hydroxy-1,1-bis(hydroxymethyl)ethyl>pentaspiro<3.1.1.1.1.3.1.1.1.1>nonadecane-2,2,14,14-tetracarboxamide 在 吡啶 作用下， 反应 10.0h， 生成 [3-Acetyloxy-2-(acetyloxymethyl)-2-[[2,14,14-tris[[1,3-diacetyloxy-2-(acetyloxymethyl)propan-2-yl]carbamoyl]pentaspiro[3.1.1.1.1.312.110.18.16.14]nonadecane-2-carbonyl]amino]propyl] acetate
  参考文献：
  名称：

  Cascade polymer series. 27. Two-directional cascade polymer synthesis: effects of core variation

  摘要：

  A series of two-directional arborols possessing spirane or biphenyl cores has been prepared in order to evaluate steric parameters in molecular packing necessary for aggregation. The core molecules were prepared by known procedures and structurally confirmed by H-1 and C-13 NMR spectra. The resultant arborols failed to aggregate in an aqueous environment supporting the computationally generated picture depicting the molecular interactions during the initial stages of gelation.

  DOI：

  10.1021/jo00063a036