(2R,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl (((2R,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-3-((methoxy(4-nitrophenethoxy)phosphoryl)oxy)tetrahydrofuran-2-yl)methyl) methyl phosphate | 160343-19-1

• 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: (2R,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl (((2R,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-3-((methoxy(4-nitrophenethoxy)phosphoryl)oxy)tetrahydrofuran-2-yl)methyl) methyl phosphate
• CAS: 160343-19-1
• 化学式: C₆₅H₆₃N₁₁O₁₇P₂
• 分子量: 1332.23
• InChiKey: CUMMZWALTOBUJA-SBBAFRMASA-N

物化性质

• 密度：
  1.48±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.24
• 重原子数：
  95.0
• 可旋转键数：
  28.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  324.21
• 氢给体数：
  2.0
• 氢受体数：
  25.0

反应信息

• 作为反应物：
  描述：

  (2R,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl (((2R,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-3-((methoxy(4-nitrophenethoxy)phosphoryl)oxy)tetrahydrofuran-2-yl)methyl) methyl phosphate 在 氨 、 溶剂黄146 、 苯硫酚 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 水 、 乙腈 为溶剂， 反应 2.0h， 生成 3'-phosphoryl-2'-deoxyadenyl-(3',5')-2'-deoxyadenosine 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：

  4-nitrophenethylmethoxydiisopropylaminophosphine 、 Phosphoric acid (2R,3S,5R)-5-(6-benzoylamino-purin-9-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-furan-3-yl ester (2R,3S,5R)-5-(6-benzoylamino-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl ester methyl ester 在 四氮唑 、 碘 作用下， 生成 (2R,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl (((2R,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-3-((methoxy(4-nitrophenethoxy)phosphoryl)oxy)tetrahydrofuran-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