| 947179-71-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• CAS: 947179-71-7
• 化学式: C₆₈H₉₄N₆O₇
• 分子量: 1107.53
• InChiKey: YOKLMDIJIJGTII-RKPCJQPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.25
• 重原子数：
  81.0
• 可旋转键数：
  14.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  216.98
• 氢给体数：
  7.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 水 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以92%的产率得到
  参考文献：
  名称：

  Cholate−Glutamic Acid Hybrid Foldamer and Its Fluorescent Detection of Zn²⁺

  摘要：

  A hybrid foldamer containing six cholate units and two glutamic acids was labeled with two pyrenyl groups at the chain ends. Folding was particularly favorable in the presence of zinc(II), as shown by the enhanced emission of the pyrene excimer. The sensitivity of the detection depended on the relative population of the folded and unfolded conformers, being highest when about 90% of the foldamer was in the unfolded state.

  DOI：

  10.1021/ol071130g
• 作为产物：
  描述：

  methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-azido-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 肼 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.0h， 生成
  参考文献：
  名称：

  Cholate−Glutamic Acid Hybrid Foldamer and Its Fluorescent Detection of Zn²⁺

  摘要：

  A hybrid foldamer containing six cholate units and two glutamic acids was labeled with two pyrenyl groups at the chain ends. Folding was particularly favorable in the presence of zinc(II), as shown by the enhanced emission of the pyrene excimer. The sensitivity of the detection depended on the relative population of the folded and unfolded conformers, being highest when about 90% of the foldamer was in the unfolded state.

  DOI：

  10.1021/ol071130g