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 | 93134-52-2

• 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: 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
• CAS: 93134-52-2
• 化学式: C₅₆H₅₃N₁₀O₁₂P
• 分子量: 1089.07
• InChiKey: KWNLFTKYDVSYTA-ZQWRHDRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.29
• 重原子数：
  79.0
• 可旋转键数：
  20.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  256.54
• 氢给体数：
  3.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  双(二异丙基氨基)(2-氰基乙氧基)膦 、 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 二异丙基铵盐四氮唑 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 以81.5%的产率得到
  参考文献：
  名称：

  A practical dinucleotide phosphoramidite chemistry for de novo DNA synthesis via block coupling

  摘要：

  DOI：

  10.1016/j.tetlet.2024.155106
• 作为产物：
  描述：

  [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-methoxyphosphoryl]oxymethyl]oxolan-3-yl] acetate 在 叔丁胺 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以82%的产率得到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
  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