| 223594-24-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物
• CAS: 223594-24-9
• 化学式: C₄₇H₈₃N₅O₁₀Si₄
• 分子量: 990.546
• InChiKey: ZMEUKDBOSXTWFG-WQWXBUOQSA-N

物化性质

• 沸点：
  822.472±75.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.126±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.02
• 重原子数：
  66.0
• 可旋转键数：
  15.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  160.34
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  在 tin(ll) chloride 作用下， 以 乙醇 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：

  在 sodium hydroxide 、 sodium tetrahydroborate 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 二甲基亚砜 、 叔丁醇 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