| 223594-39-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• CAS: 223594-39-6
• 化学式: C₃₉H₆₂N₇O₁₂PSi₂
• 分子量: 908.106
• InChiKey: DDURPOISYVVZFU-XWZBXBBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.12
• 重原子数：
  61.0
• 可旋转键数：
  18.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  218.47
• 氢给体数：
  2.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  、 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Covalently Cross-Linked Watson-Crick Base Pair Models

  摘要：

  Structural characteristics of Watson-Crick hydrogen-bonded base pairs are displayed by methylene-bridged base pairs of type A. The shown superposition of the X-ray structure obtained for the base pair A (Rib1 =Et; Rib2 =Me) over that of a C-G base pair illustrates that A occupies an area similar to that occupied by a traditional Watson-Crick hydrogen-bonded base pair. Temperature-dependent 1 H NMR studies indicate that the energy barrier for rotation along its CH2 bridge is about 10 kcal mol-1 , and that it exists predominantly in one conformer at -70°C.

  DOI：

  10.1002/(sici)1521-3773(19990401)38:7<928::aid-anie928>3.0.co;2-o
• 作为产物：
  描述：

  3'-O-tert-Butyldimethylsilyl-N⁶-alloxycarbonyl-2'-deoxyadenosine 在 四氮唑 、 叔丁基过氧化氢 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Covalently Cross-Linked Watson-Crick Base Pair Models

  摘要：

  Structural characteristics of Watson-Crick hydrogen-bonded base pairs are displayed by methylene-bridged base pairs of type A. The shown superposition of the X-ray structure obtained for the base pair A (Rib1 =Et; Rib2 =Me) over that of a C-G base pair illustrates that A occupies an area similar to that occupied by a traditional Watson-Crick hydrogen-bonded base pair. Temperature-dependent 1 H NMR studies indicate that the energy barrier for rotation along its CH2 bridge is about 10 kcal mol-1 , and that it exists predominantly in one conformer at -70°C.

  DOI：

  10.1002/(sici)1521-3773(19990401)38:7<928::aid-anie928>3.0.co;2-o