| 160343-28-2

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• CAS: 160343-28-2
• 化学式: C₃₀H₃₉N₅O₁₇P₂
• 分子量: 803.61
• InChiKey: ZILDCOHUEMYYAE-SXHMBWFKSA-N

物化性质

• 密度：
  1.55±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.73
• 重原子数：
  54.0
• 可旋转键数：
  17.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  281.07
• 氢给体数：
  3.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  在 苯硫酚 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 反应 17.0h， 生成 3'-phosphorylthymidyl-(3',5')-thymidine trisodium salt
  参考文献：
  名称：

  Rapid and Efficient Syntheses of Phosphorylated Dinucleotides

  摘要：

  Nine or ten-step solution phase syntheses of the dimers dpApA, dApAp, dpTpT and dTpTp in 0.1-0.5 g amounts, in overall yields of 49%, 45%, 32%, and 20% respectively, are described. The synthetic intermediates were characterized by H-1 and P-31 NMR and the structures of the final products were established by hydrolysis with alkaline phosphatase and comparison of the products with authentic samples.

  DOI：

  10.1080/15257779408011881
• 作为产物：
  描述：

  [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methyl phosphate 在 四氮唑 、 碘 、 溶剂黄146 作用下， 反应 3.03h， 生成
  参考文献：
  名称：

  Rapid and Efficient Syntheses of Phosphorylated Dinucleotides

  摘要：

  Nine or ten-step solution phase syntheses of the dimers dpApA, dApAp, dpTpT and dTpTp in 0.1-0.5 g amounts, in overall yields of 49%, 45%, 32%, and 20% respectively, are described. The synthetic intermediates were characterized by H-1 and P-31 NMR and the structures of the final products were established by hydrolysis with alkaline phosphatase and comparison of the products with authentic samples.

  DOI：

  10.1080/15257779408011881