| 140380-88-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• CAS: 140380-88-7
• 化学式: C₄₆H₇₅N₆O₈PSi
• 分子量: 899.196
• InChiKey: FWPIXGCMFHHCRQ-QSWVDJEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.29
• 重原子数：
  62.0
• 可旋转键数：
  20.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  190.63
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 作用下， 生成 phosphotriester of 3β(7β-hydroxycholesterol) 5'-<3'-azido,3'-deoxy thymidine> 2-cyanoethyl
  参考文献：
  名称：

  Mass spectrometric studies of phosphodiesters linked to oxysterols and nucleosides, a family of biologically potent oxygenated sterols

  摘要：

  AbstractNegative‐ion fast atom bombardment mass spectra of five compounds resulting from combinations between oxysterols and nucleoside analogues linked by phosphodiester bonds are presented and interpreted. This method seems to be the most appropriate for elucidating the structure of these complex, labile and non‐volatile phosphate‐containing molecules which exhibit important antitumour and/or immunosuppressive activities.

  DOI：

  10.1002/oms.1210270214
• 作为产物：
  描述：

  3-(7β-triethylsilyloxycholesteryl) 2-cyanoethyl N,N-diisopropylphosphoramidite 、 齐多夫定 在 四氮唑 、 间氯过氧苯甲酸 作用下， 生成 、
  参考文献：
  名称：

  Mass spectrometric studies of phosphodiesters linked to oxysterols and nucleosides, a family of biologically potent oxygenated sterols

  摘要：

  AbstractNegative‐ion fast atom bombardment mass spectra of five compounds resulting from combinations between oxysterols and nucleoside analogues linked by phosphodiester bonds are presented and interpreted. This method seems to be the most appropriate for elucidating the structure of these complex, labile and non‐volatile phosphate‐containing molecules which exhibit important antitumour and/or immunosuppressive activities.

  DOI：

  10.1002/oms.1210270214