47-azido-3-(38-azido-2-oxo-6,9,12,15,18,21,24,27,30,33,36-undecaoxa-3-azaoctatriacontyl)-6,9-bis(carboxymethyl)-11-oxo-15,18,21,24,27,30,33,36,39,42,45-undecaoxa-3,6,9,12-tetraazaheptatetracontanoic acid | 1566605-98-8

• 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: 47-azido-3-(38-azido-2-oxo-6,9,12,15,18,21,24,27,30,33,36-undecaoxa-3-azaoctatriacontyl)-6,9-bis(carboxymethyl)-11-oxo-15,18,21,24,27,30,33,36,39,42,45-undecaoxa-3,6,9,12-tetraazaheptatetracontanoic acid
• CAS: 1566605-98-8
• 化学式: C₆₂H₁₁₉N₁₁O₃₀
• 分子量: 1498.68
• InChiKey: OVDZQYPOHPQKHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.64
• 重原子数：
  103.0
• 可旋转键数：
  88.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  480.4
• 氢给体数：
  5.0
• 氢受体数：
  32.0

反应信息

• 作为反应物：
  描述：

  47-azido-3-(38-azido-2-oxo-6,9,12,15,18,21,24,27,30,33,36-undecaoxa-3-azaoctatriacontyl)-6,9-bis(carboxymethyl)-11-oxo-15,18,21,24,27,30,33,36,39,42,45-undecaoxa-3,6,9,12-tetraazaheptatetracontanoic acid 、 N-Boc-4,7,10-三氧杂-1,13-十三烷二胺 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以71%的产率得到
  参考文献：
  名称：

  Controlling Multivalency and Multimodality: Up to Pentamodal Dendritic Platforms Based on Diethylenetriaminepentaacetic Acid Cores

  摘要：

  A highly versatile synthetic strategy is described to generate multimodal and multivalent platforms based on a diethylenetriaminepentaacetic (DTPA) core. Compounds with different functionalization patterns, from mono- to pentamodal, have been prepared using robust and simple chemistry.

  DOI：

  10.1021/ol500022n
• 作为产物：
  描述：

  二亚乙基三胺五乙酸二酐 、 叠氮基-PEG11-胺 以 N,N-二甲基甲酰胺 、 二氯甲烷 为溶剂， 反应 16.0h， 以82%的产率得到47-azido-3-(38-azido-2-oxo-6,9,12,15,18,21,24,27,30,33,36-undecaoxa-3-azaoctatriacontyl)-6,9-bis(carboxymethyl)-11-oxo-15,18,21,24,27,30,33,36,39,42,45-undecaoxa-3,6,9,12-tetraazaheptatetracontanoic acid
  参考文献：
  名称：

  Controlling Multivalency and Multimodality: Up to Pentamodal Dendritic Platforms Based on Diethylenetriaminepentaacetic Acid Cores

  摘要：

  A highly versatile synthetic strategy is described to generate multimodal and multivalent platforms based on a diethylenetriaminepentaacetic (DTPA) core. Compounds with different functionalization patterns, from mono- to pentamodal, have been prepared using robust and simple chemistry.

  DOI：

  10.1021/ol500022n