[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[methoxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methyl phosphate | 160343-20-4

• 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
• 英文名称: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[methoxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methyl phosphate
• CAS: 160343-20-4
• 化学式: C₅₁H₅₇N₅O₁₉P₂
• 分子量: 1105.98
• InChiKey: SBKCBMOGUSAULS-LBMBHBOMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  77
• 可旋转键数：
  23
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  280
• 氢给体数：
  2
• 氢受体数：
  19

反应信息

• 作为反应物：
  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-[methoxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methyl phosphate 在 溶剂黄146 作用下， 反应 3.0h， 以60%的产率得到
  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：

  3'-O-acetylthymidine 在 四氮唑 、 碘 、 叔丁胺 作用下， 以 甲醇 为溶剂， 反应 17.07h， 生成 [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[methoxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methyl phosphate
  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