| 678993-29-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 678993-29-8
• 化学式: C₄₈H₇₆N₆O₂₁
• 分子量: 1073.16
• InChiKey: JMEJZGPMBHHIKM-UBAJCIADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.89
• 重原子数：
  75.0
• 可旋转键数：
  16.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  321.04
• 氢给体数：
  4.0
• 氢受体数：
  21.0

反应信息

• 作为反应物：
  描述：

  在 钯 五氟苯基二苯基磷酸酯 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 反应 90.0h， 生成
  参考文献：
  名称：

  Towards hydroxylated nylon 6: linear and cyclic oligomers from a protected 6-amino-6-deoxy-d-galactonate––a novel class of carbopeptoid-cyclodextrin (CPCD)

  摘要：

  Circular dichroism studies on a series of linear oligomers derived from a protected 6-amino-6-deoxy-D-galactonate (an epsilon-amino acid) indicated a predisposition to form a rigid structure in solution, which is comparable to a beta-sheet composed Of L-amino acids; in contrast, a diastereomeric allonate series provided no evidence for secondary structure. A linear tetramer was cyclised to a 28-membered ring lactam in modest yield, which on deprotection formed a class of macrocycle with structural features of both a cyclic peptide and a cyclodextrin. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2003.12.031
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Huge (14-, 21-, 28-, 35-, 56- and 70-membered ring) macrocyclic lactams––a novel family of carbopeptoid-cyclodextrins

  摘要：

  Hydrogenation of linear omega-azido-pentafluorophenyl esters gives cyclic peptides containing 14-, 21-, 28-, 35-, 56- and 70-membered ring lactams from oligomers derived from epsilon-amino acids in excellent to moderate yields with a lack of racemisation during the cyclisation step. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.10.103