(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[4-[[4-[[(2S,5S,8S,11S)-1,4,7,10-tetrabenzyl-5,8,11-tris[[4-[[1-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-4-yl]methoxy]phenyl]methyl]-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]oxane-3,4,5-triol | 1160294-04-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[4-[[4-[[(2S,5S,8S,11S)-1,4,7,10-tetrabenzyl-5,8,11-tris[[4-[[1-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-4-yl]methoxy]phenyl]methyl]-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]oxane-3,4,5-triol
• CAS: 1160294-04-1
• 化学式: C₁₀₈H₁₃₆N₁₆O₂₈
• 分子量: 2106.36
• InChiKey: JQIHIESLCSJHPQ-OOKLNKQRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  152
• 可旋转键数：
  48
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  570
• 氢给体数：
  16
• 氢受体数：
  40

反应信息

• 作为产物：
  描述：

  [(2R,3R,4S,5S)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate 、 在 copper(l) iodide 、 N,N-二异丙基乙胺 、 轮环藤宁 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以79%的产率得到(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[4-[[4-[[(2S,5S,8S,11S)-1,4,7,10-tetrabenzyl-5,8,11-tris[[4-[[1-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-4-yl]methoxy]phenyl]methyl]-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]oxane-3,4,5-triol
  参考文献：
  名称：

  Chiral Tetraazamacrocycles Having Four Pendant-Arms

  摘要：

  chiral tetraazamacrocycle 9 having four pendant-arms was synthesized by repeating ring opening of an Ns-aziridine with secondary amines, followed by macrocyclization. The structure of 9 has been determined by single crystal X-ray diffraction analysis and NMR studies. Sugar-hybrid molecules 12a-12f were synthesized based on the scaffold 9. NMR study showed that 12a-12f keep the similar conformation as 9 in solution.

  DOI：

  10.1021/ol9005954