[(2R,3S,5R)-5-[8-(3-acetylphenyl)-2-amino-6-oxo-1H-purin-9-yl]-3-[6-[4-(hydroxymethyl)triazol-1-yl]hexanoyloxy]oxolan-2-yl]methyl 6-[4-(hydroxymethyl)triazol-1-yl]hexanoate | 1197993-18-2

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: [(2R,3S,5R)-5-[8-(3-acetylphenyl)-2-amino-6-oxo-1H-purin-9-yl]-3-[6-[4-(hydroxymethyl)triazol-1-yl]hexanoyloxy]oxolan-2-yl]methyl 6-[4-(hydroxymethyl)triazol-1-yl]hexanoate
• CAS: 1197993-18-2
• 化学式: C₃₆H₄₅N₁₁O₉
• 分子量: 775.822
• InChiKey: QKGTXMLPWJFBAG-ZGIBFIJWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  56
• 可旋转键数：
  22
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  266
• 氢给体数：
  4
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  8-(3-acetylphenyl)-(3',5'-bis-O-(6-azidohexanoyloxy))-2'-deoxyquanosine 、 2-丙炔-1-醇 在 copper(ll) sulfate pentahydrate 、 维生素 C 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到[(2R,3S,5R)-5-[8-(3-acetylphenyl)-2-amino-6-oxo-1H-purin-9-yl]-3-[6-[4-(hydroxymethyl)triazol-1-yl]hexanoyloxy]oxolan-2-yl]methyl 6-[4-(hydroxymethyl)triazol-1-yl]hexanoate
  参考文献：
  名称：

  Nonpolymeric Thermosensitive Supramolecules

  摘要：

  Here we show 2'-deoxyguanosine derivatives that self-assemble in aqueous media into discrete supramolecular hexadecamers and exhibit the lower critical solution temperature (LCST) phenomenon. Spectroscopic, calorimetric, and electron microscopy studies support the fact that above the transition temperature (T-t) the supramolecules further assemble into nanoscopic spherical globules of low polydispersity. Furthermore, the T-t can be tuned to higher values by the addition of a more hydrophilic derivative. These findings uncover a new paradigm in the development of smart thermosensitive materials with properties and applications complementary to those of polymers.

  DOI：

  10.1021/ja9070927

文献信息

• Nonpolymeric Thermosensitive Supramolecules
  作者：José E. Betancourt、José M. Rivera

  DOI：10.1021/ja9070927

  日期：2009.11.25

  Here we show 2'-deoxyguanosine derivatives that self-assemble in aqueous media into discrete supramolecular hexadecamers and exhibit the lower critical solution temperature (LCST) phenomenon. Spectroscopic, calorimetric, and electron microscopy studies support the fact that above the transition temperature (T-t) the supramolecules further assemble into nanoscopic spherical globules of low polydispersity. Furthermore, the T-t can be tuned to higher values by the addition of a more hydrophilic derivative. These findings uncover a new paradigm in the development of smart thermosensitive materials with properties and applications complementary to those of polymers.