niazidin | 198969-42-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: niazidin
• 英文别名: O-cyano N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
• CAS: 198969-42-5
• 化学式: C₁₅H₁₈N₂O₆S
• 分子量: 354.384
• InChiKey: NYQKSLDPYVPTRT-CNJBRALLSA-N

物化性质

• 沸点：
  553.5±60.0 °C(Predicted)
• 密度：
  1.471±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  156
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 niazidin 在 吡啶 作用下， 反应 72.0h， 以47.32 mg的产率得到niazidin triacetate
  参考文献：
  名称：

  Isolation and Structure Elucidation of a Novel Glycoside Niazidin from the Pods of Moringa oleifera

  摘要：

  Studies on the EtOH extract of fresh pods of Moringa oleifera have resulted in the isolation of a novel glycoside niazidin (1) possessing an O-nitrile thiocarbamate group, along with thiocarbamate, carbamate, and isothiocyanate glycosides. Their structures have been determined through spectral studies, including appropriate 2D NMR experiments and chemical reaction. Fatty acid esters, long-chain hydrocarbons, carbamic acid, isocyanates, isothiocyanates, phenolic esters, nitriles, nitrile ester (3), polysulfide sulfinate (4), and a benzyl thiocarbamate (5), along with elemental sulfur (S-8), have also been identified through GC-MS.

  DOI：

  10.1021/np970038y