| 195299-28-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 195299-28-6
• 化学式: C₁₆H₂₀N₃O₃P
• 分子量: 333.327
• InChiKey: HZGFOFXZOVWVOJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.276±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.78
• 重原子数：
  23.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  90.46
• 氢给体数：
  4.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 生成
  参考文献：
  名称：

  Fast Atom Bombardment Mass Spectra ofN-Phosphorylated Peptide Analogs

  摘要：

  A series of N-(N-alkyl)- and N-(O-alkyl)phosphopeptide analogs were determined by positive and negative ion fast atom bombardment mass spectrometry and their fragmentation pathways were investigated. Their mass spectra gave abundant [MH - NH2R'](+), [MH - HOR ''](+), [MH - H2O](+) or [M - H - NH2R'](-), [M - H - HOR ''](-) ions, which contained pentavalent tricoordinate phosphorus ions through the loss of amine or water. In the positive ion mass spectra, +NH3R' and +NH3CHRCONHR' were found, while [MH - NH2CHRCONHR'](+) was suppressed. In the negative ion mass spectra, the pseudomolecular ion [M - H](-) was the base peak, and almost all the fragment ions contained a phosphoryl group. (C) 1997 by John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1096-9888(199708)32:8<813::aid-jms535>3.0.co;2-r
• 作为产物：
  描述：

  苄胺 、 2-Trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one 在 水 作用下， 生成
  参考文献：
  名称：

  Fast Atom Bombardment Mass Spectra ofN-Phosphorylated Peptide Analogs

  摘要：

  A series of N-(N-alkyl)- and N-(O-alkyl)phosphopeptide analogs were determined by positive and negative ion fast atom bombardment mass spectrometry and their fragmentation pathways were investigated. Their mass spectra gave abundant [MH - NH2R'](+), [MH - HOR ''](+), [MH - H2O](+) or [M - H - NH2R'](-), [M - H - HOR ''](-) ions, which contained pentavalent tricoordinate phosphorus ions through the loss of amine or water. In the positive ion mass spectra, +NH3R' and +NH3CHRCONHR' were found, while [MH - NH2CHRCONHR'](+) was suppressed. In the negative ion mass spectra, the pseudomolecular ion [M - H](-) was the base peak, and almost all the fragment ions contained a phosphoryl group. (C) 1997 by John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1096-9888(199708)32:8<813::aid-jms535>3.0.co;2-r