| 110312-32-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 110312-32-8
• 化学式: C₂₀H₂₆N₄O₁₂P
• 分子量: 545.42
• InChiKey: NJSVHWLZVMMJLN-FYHWBFIYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.68
• 重原子数：
  37.0
• 可旋转键数：
  1.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  216.33
• 氢给体数：
  4.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  C₂₇H₄₃N₄O₁₂PSi 在 吡啶 、 水 、 溶剂黄146 作用下， 反应 13.0h， 生成
  参考文献：
  名称：

  A building block for the sequence-specific introduction of cis-syn thymine dimers into oligonucleotides. Solid-phase synthesis of TpT[c,s]pTpT

  摘要：

  DOI：

  10.1021/ja00256a030

文献信息

• Crystal Structure and Photochemical Behavior in Solution of the 3‘-<i>N</i>-Sulfamate Analogue of Thymidylyl(3‘-5‘)thymidine
  作者：Céline Moriou、Martial Thomas、Marie-Thérèse Adeline、Marie-Thérèse Martin、Angèle Chiaroni、Sylvie Pochet、Jean-Louis Fourrey、Alain Favre、Pascale Clivio

  DOI：10.1021/jo061488a

  日期：2007.1.1

  [GRAPHICS]The 3'-N-sulfamate analogue of thymidylyl(3'-5')thymidine (TnsoT, 1) exhibits a preference for a C3'-endo conformation in the solution and solid states. Its photochemical behavior in solution is compared to that of its natural counterpart, thymidylyl(3'-5')thymidine (TpT, 2), to get further insight into the significance of the C3'-endo conformation on the photoproduct formation at the single-stranded dinucleotide level. Irradiation at 254 nm of 1 led to the same type of photoproducts as observed with 2. However, 1 was significantly more photoreactive than 2, and accordingly, the initial rate of photoproduct formation was enhanced in accordance with its propensity to base stack compared to 2. The corresponding quantum yields were determined and showed that the enhancement factor (1 compared to 2) is moderate for the cyclobutane pyrimidine dimer (CPD) (1.26) and much higher for the (6-4) photoproduct (1.8). These data strongly suggest that the CPD and (6-4) photoproduct arise from distinct minor stacked conformations.
• DNA, light, and Dewar pyrimidinones: the structure and biological significance to TpT3
  作者：John Stephen Taylor、Michael P. Cohrs

  DOI：10.1021/ja00243a052

  日期：1987.4