| 1231218-16-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1231218-16-8
• 化学式: C₄₇H₅₂N₄O₈
• 分子量: 800.952
• InChiKey: XRXHAJNYFMOPQM-BAMDYFRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.38
• 重原子数：
  59.0
• 可旋转键数：
  17.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  169.0
• 氢给体数：
  4.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  、 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Design, Synthesis, and Structural Analysis of d,l-Mixed Polypyrrolinones. 2. Macrocyclic Hexapyrrolinones

  摘要：

  The design, synthesis, and structural analysis of two macrocyclic D,L-alternating hexapyrrolinones have been achieved. These cyclic peptide mimics adopt a flat, hexagonal conformation, stabilized by intramolecular hydrogen bonding between adjacent pyrrolinone rings. Extensive NMR studies and X-ray analysis reveal, respectively, that the macrocyclic hexapyrrolinones aggregate in solution and in the solid state form staggered stacked nanotube-like assemblies.

  DOI：

  10.1021/ol101008y
• 作为产物：
  描述：

  在 锂硼氢 、 水 作用下， 以 乙腈 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Design, Synthesis, and Structural Analysis of d,l-Mixed Polypyrrolinones. 2. Macrocyclic Hexapyrrolinones

  摘要：

  The design, synthesis, and structural analysis of two macrocyclic D,L-alternating hexapyrrolinones have been achieved. These cyclic peptide mimics adopt a flat, hexagonal conformation, stabilized by intramolecular hydrogen bonding between adjacent pyrrolinone rings. Extensive NMR studies and X-ray analysis reveal, respectively, that the macrocyclic hexapyrrolinones aggregate in solution and in the solid state form staggered stacked nanotube-like assemblies.

  DOI：

  10.1021/ol101008y