[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]oxyoxolan-3-yl] 2-cyanoethyl phosphate | 370860-00-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: [(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]oxyoxolan-3-yl] 2-cyanoethyl phosphate
• CAS: 370860-00-7
• 化学式: C₅₇H₆₂FN₆O₁₇P
• 分子量: 1153.12
• InChiKey: RVHNTLHCALVJMY-IHTWSGHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  82
• 可旋转键数：
  22
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  254
• 氢给体数：
  2
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  [(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]oxyoxolan-3-yl] 2-cyanoethyl phosphate 在 三氯乙酸 作用下， 生成
  参考文献：
  名称：

  Synthesis and hydrolytic stability of 5′-aminoacylated oligouridylic acids

  摘要：

  Dimers and trimers Of uridylic acid vith it phenylalanine residue at their 5'-terminus were prepared in Solution Via intermediates Both acid-labile protecting groups. A 5'-aminoacylated octanucleotide was prepared on solid Support using a phosphoramidate linker and an allyloxycarbonyl-protected phenylalanine. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01076-0
• 作为产物：
  描述：

  在 碘 作用下， 以 四氢呋喃 、 吡啶 、 水 为溶剂， 反应 0.75h， 生成 [(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]oxyoxolan-3-yl] 2-cyanoethyl phosphate
  参考文献：
  名称：

  Synthesis and hydrolytic stability of 5′-aminoacylated oligouridylic acids

  摘要：

  Dimers and trimers Of uridylic acid vith it phenylalanine residue at their 5'-terminus were prepared in Solution Via intermediates Both acid-labile protecting groups. A 5'-aminoacylated octanucleotide was prepared on solid Support using a phosphoramidate linker and an allyloxycarbonyl-protected phenylalanine. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01076-0