[2-Methyl-3-[2-methyl-2-[[2-methyl-3-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxy-2-[[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxymethyl]propanoyl]oxymethyl]-3-oxo-3-prop-2-ynoxypropoxy]-2-[[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxymethyl]-3-oxopropyl] 2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoate | 1005323-21-6

• 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: [2-Methyl-3-[2-methyl-2-[[2-methyl-3-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxy-2-[[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxymethyl]propanoyl]oxymethyl]-3-oxo-3-prop-2-ynoxypropoxy]-2-[[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxymethyl]-3-oxopropyl] 2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoate
• CAS: 1005323-21-6
• 化学式: C₁₀₂H₁₆₄N₈O₄₆
• 分子量: 2238.45
• InChiKey: PJCUHAWHTXOERO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  156
• 可旋转键数：
  91
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  701
• 氢给体数：
  8
• 氢受体数：
  46

反应信息

• 作为反应物：
  描述：

  [2-Methyl-3-[2-methyl-2-[[2-methyl-3-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxy-2-[[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxymethyl]propanoyl]oxymethyl]-3-oxo-3-prop-2-ynoxypropoxy]-2-[[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxymethyl]-3-oxopropyl] 2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以98%的产率得到
  参考文献：
  名称：

  Multivalent polymer vesicles via surface functionalization

  摘要：

  开发了一种将多价树枝状基团连接到聚合物囊泡表面的新方法。

  DOI：

  10.1039/b713569f
• 作为产物：
  描述：

  (((2-methyl-2-((prop-2-yn-1-yloxy)carbonyl)propane-1,3-diyl)bis(oxy))bis(carbonyl))bis(2-methylpropane-2,1,3-triyl) tetrakis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate) 、 N,N'-di-tert-butoxycarbonyl-3-aminopropionic acid anhydride 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以86%的产率得到[2-Methyl-3-[2-methyl-2-[[2-methyl-3-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxy-2-[[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxymethyl]propanoyl]oxymethyl]-3-oxo-3-prop-2-ynoxypropoxy]-2-[[2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoyl]oxymethyl]-3-oxopropyl] 2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propanoate
  参考文献：
  名称：

  Multivalent polymer vesicles via surface functionalization

  摘要：

  开发了一种将多价树枝状基团连接到聚合物囊泡表面的新方法。

  DOI：

  10.1039/b713569f