sodium salt of N⁴,-2'-O-dibutyryl cytidine 3',5'-cyclic monophosphate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: sodium salt of N⁴,-2'-O-dibutyryl cytidine 3',5'-cyclic monophosphate
• 英文别名: sodium;1-[(4aR,6R,7R,7aR)-7-butanoyloxy-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-butanoyliminopyrimidin-2-olate
• 化学式: C₁₇H₂₃N₃O₉P*Na
• 分子量: 467.348
• InChiKey: DPHMKEHYYCWDMC-QHGBZGEGSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.52
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  156
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  丁酸酐 、 胞苷-3’,5’-环一磷酸 在 吡啶 、 Amberilte IR-120 (Na+ form) 作用下， 生成 sodium salt of N⁴,-2'-O-dibutyryl cytidine 3',5'-cyclic monophosphate
  参考文献：
  名称：

  Identification of butyryl derivatives of cyclic nucleotides by positive ion fast atom bombardment mass spectrometry and mass-analysed ion kinetic energy spectrometry

  摘要：

  AbstractThe syntheses of the dibutyryl derivatives of the 3′,5′‐cyclic monophosphates of adenosine, guanosine and cytidine are described. The fast atom bombardment mass spectra of these compounds are discussed, together with the mass‐analysed ion kinetic energy spectra of their protonated molecular ions and of diagnostic fragments. A protocol for the identification of the derivatives is reported which includes criteria for confirming retention of the cyclic phosphodiester moiety, substitution of both heterocyclic base and ribose ring, and butyrylation of the 2′‐O‐position. The origins of significant fragments in the spectra are discussed.

  DOI：

  10.1002/oms.1210240827

文献信息

• Identification of butyryl derivatives of cyclic nucleotides by positive ion fast atom bombardment mass spectrometry and mass-analysed ion kinetic energy spectrometry
  作者：Russell P. Newton、Terence J. Walton、Salem A. Basaif、Andrea M. Jenkins、A. Gareth Brenton、Dipankar Ghosh、Frank M. Harris

  DOI：10.1002/oms.1210240827

  日期：1989.8

  AbstractThe syntheses of the dibutyryl derivatives of the 3′,5′‐cyclic monophosphates of adenosine, guanosine and cytidine are described. The fast atom bombardment mass spectra of these compounds are discussed, together with the mass‐analysed ion kinetic energy spectra of their protonated molecular ions and of diagnostic fragments. A protocol for the identification of the derivatives is reported which includes criteria for confirming retention of the cyclic phosphodiester moiety, substitution of both heterocyclic base and ribose ring, and butyrylation of the 2′‐O‐position. The origins of significant fragments in the spectra are discussed.