| 705281-49-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 705281-49-8
• 化学式: C₁₁H₁₅F₂O₁₂P₃
• 分子量: 470.151
• InChiKey: TZCOUFCAYZVEMF-HBNTYKKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  28.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  189.28
• 氢给体数：
  5.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  (2R,3aS,9aR)-2-(3,5-Difluoro-phenyl)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacyclooctene 在 磷酸三甲酯 、 Proton Sponge 、 四丁基氟化铵 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 2.75h， 生成
  参考文献：
  名称：

  Efforts To Expand the Genetic Alphabet:  Identification of a Replicable Unnatural DNA Self-Pair

  摘要：

  Six unnatural nucleotides featuring fluorine-substituted phenyl nucleobase analogues have been synthesized, incorporated into DNA, and characterized in terms of the structure and replication properties of the self-pairs they form. Each unnatural self-pair is accommodated in B-form DNA without detectable structural perturbation, and all are thermally stable and selective to roughly the same degree. Furthermore, the efficiency of polymerase-mediated mispair synthesis is similar for each unnatural nucleotide in the template. In contrast, the efficiency of polymerase-mediated self-pair extension is highly dependent on the specific fluorine substitution pattern. The most promising unnatural base pair candidate of this series is the 3-fluorobenzene self-pair, which is replicated with reasonable efficiency and selectivity.

  DOI：

  10.1021/ja049961u