2,6-Dimethyl-benzoic acid 4-{[(2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-diisopropylamino-phosphanyloxymethyl}-phenyl ester | 190202-99-4

• 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: 2,6-Dimethyl-benzoic acid 4-{[(2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-diisopropylamino-phosphanyloxymethyl}-phenyl ester
• CAS: 190202-99-4
• 化学式: C₅₃H₆₀N₃O₁₀P
• 分子量: 930.047
• InChiKey: PMMZKTVAXWBENV-MVAJTOPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.94
• 重原子数：
  67.0
• 可旋转键数：
  19.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  139.78
• 氢给体数：
  1.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  2,6-Dimethyl-benzoic acid 4-{[(2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-diisopropylamino-phosphanyloxymethyl}-phenyl ester 、 alkaline earth salt of/the/ methylsulfuric acid 在 deprotecting 、 苯基二硫化物 、 potassium carbonate 作用下， 生成
  参考文献：
  名称：

  Bioreversible oligonucleotide conjugates by site-specific derivatization

  摘要：

  Oligonucleotide analogs which are site-specifically derivatized with O-acyloxyaryl groups were prepared using phosphoramidite chemistry. Upon their incubation with pig liver esterase (PLE) or chymotrypsin, the analogs were shown to revert to the parent compound. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00119-4
• 作为产物：
  描述：

  二氯-N,N-二异丙基亚磷酰胺 、 保护胸苷 、 [4-(hydroxymethyl)phenyl] 2,6-dimethylbenzoate 生成 2,6-Dimethyl-benzoic acid 4-{[(2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-diisopropylamino-phosphanyloxymethyl}-phenyl ester
  参考文献：
  名称：

  Bioreversible oligonucleotide conjugates by site-specific derivatization

  摘要：

  Oligonucleotide analogs which are site-specifically derivatized with O-acyloxyaryl groups were prepared using phosphoramidite chemistry. Upon their incubation with pig liver esterase (PLE) or chymotrypsin, the analogs were shown to revert to the parent compound. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00119-4