[(2S,3R)-2,3,4-trihydroxybutyl] nitrate | 138779-56-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2S,3R)-2,3,4-trihydroxybutyl] nitrate
• CAS: 138779-56-3
• 化学式: C₄H₉NO₆
• 分子量: 167.119
• InChiKey: ASWVTJQZGNGGGY-DMTCNVIQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  116
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [(2S,3R)-2,3,4-trihydroxybutyl] nitrate 在 硝酸 作用下， 以 水 为溶剂， 生成 (2R,3S)-2,4-Bis-nitrooxy-butane-1,3-diol
  参考文献：
  名称：

  Nitration equilibrium in the meso-erythritol-aqueous nitric acid system

  摘要：

  Twelve equilibrium constants have been measured from 16 for sequential-parallel reactions in meso-erythritol nitration to the fully nitrated compound in aqueous HNO3. Free-energy changes during nitration of the aliphatic polyatomic alcohols, glycerol and meso-erythritol, are highest when diprimary dinitrates (NOON) and (NON) are produced.

  DOI：

  10.1007/bf00963488
• 作为产物：
  描述：

  Erythritol 在 硝酸 作用下， 以 水 为溶剂， 生成 [(2S,3R)-2,3,4-trihydroxybutyl] nitrate
  参考文献：
  名称：

  Nitration equilibrium in the meso-erythritol-aqueous nitric acid system

  摘要：

  Twelve equilibrium constants have been measured from 16 for sequential-parallel reactions in meso-erythritol nitration to the fully nitrated compound in aqueous HNO3. Free-energy changes during nitration of the aliphatic polyatomic alcohols, glycerol and meso-erythritol, are highest when diprimary dinitrates (NOON) and (NON) are produced.

  DOI：

  10.1007/bf00963488

文献信息

• Nitration equilibrium in the meso-erythritol-aqueous nitric acid system
  作者：A. I. Kazakov、G. V. Lagodzinskaya、N. G. Yunda、L. P. Andrienko、A. M. Korolev、Yu. I. Rubtsov、G. B. Manelis、L. T. Eremenko

  DOI：10.1007/bf00963488

  日期：1991.10

  Twelve equilibrium constants have been measured from 16 for sequential-parallel reactions in meso-erythritol nitration to the fully nitrated compound in aqueous HNO3. Free-energy changes during nitration of the aliphatic polyatomic alcohols, glycerol and meso-erythritol, are highest when diprimary dinitrates (NOON) and (NON) are produced.