| 183810-48-2

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物
• CAS: 183810-48-2
• 化学式: C₅₁H₇₃N₁₀O₁₆PSi₂
• 分子量: 1169.34
• InChiKey: MYBJKDHNZHNJKT-JACJXSIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.69
• 重原子数：
  80.0
• 可旋转键数：
  19.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  285.68
• 氢给体数：
  1.0
• 氢受体数：
  25.0

反应信息

• 作为反应物：
  描述：

  在 吡啶 、 4-二甲氨基吡啶 、 叔丁胺 作用下， 以 甲醇 为溶剂， 反应 6.5h， 生成
  参考文献：
  名称：

  Deoxyadenosine and Thymidine Bases Held Proximal and Distal by Means of a Covalently-Linked Dimensional Analogue of dA·dT: Intramolecular vs Intermolecular Hydrogen Bonding¹

  摘要：

  Deoxyadenylic acid and deoxythymidilic acid have been attached to a covalently-linked cross section, (sic), on the same side (proximal) and on opposite sides (distal) by synthetic sequences involving various combined protection/deprotection steps. The structures in aqueous solution buffered at pH 7.0 have been examined by 2D-NOESY NMR spectroscopy. The covalently-linked cross section provides a template that stabilizes dA . dT base pairing in the proximal isomer at 2 degrees C. In the distal isomer, it contributes to favorable conformations for intermolecular association.

  DOI：

  10.1021/ja9618255
• 作为产物：
  描述：

  在 叔丁基过氧化氢 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 以79%的产率得到
  参考文献：
  名称：

  Deoxyadenosine and Thymidine Bases Held Proximal and Distal by Means of a Covalently-Linked Dimensional Analogue of dA·dT: Intramolecular vs Intermolecular Hydrogen Bonding¹

  摘要：

  Deoxyadenylic acid and deoxythymidilic acid have been attached to a covalently-linked cross section, (sic), on the same side (proximal) and on opposite sides (distal) by synthetic sequences involving various combined protection/deprotection steps. The structures in aqueous solution buffered at pH 7.0 have been examined by 2D-NOESY NMR spectroscopy. The covalently-linked cross section provides a template that stabilizes dA . dT base pairing in the proximal isomer at 2 degrees C. In the distal isomer, it contributes to favorable conformations for intermolecular association.

  DOI：

  10.1021/ja9618255