1-Hydroxy-2.2.4-trimethyl-pentanon-(3)-p-nitrobenzoat | 92653-22-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-Hydroxy-2.2.4-trimethyl-pentanon-(3)-p-nitrobenzoat
• 英文别名: 2,2,4-trimethyl-1-(4-nitro-benzoyloxy)-pentan-3-one；2,2,4-Trimethyl-1-(4-nitro-benzoyloxy)-pentan-3-on
• CAS: 92653-22-0
• 化学式: C₁₅H₁₉NO₅
• 分子量: 293.32
• InChiKey: NWTFFBJFMKLHAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  86.51
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2,2,4-trimethyl-3-oxo-1-pentanol 生成 1-Hydroxy-2.2.4-trimethyl-pentanon-(3)-p-nitrobenzoat
  参考文献：
  名称：

  Model of Detergent-Induced Spectral Changes of the B800-850 Complex from Chromatium minutissimum

  摘要：

  The absorption and circular dichroism spectra of the B800-850 complex from Chromatium minutissimum before and after the Triton X-100 treatment were simulated by means of standard exciton theory, taking into account inhomogeneous broadening. To explain the spectral changes of the B800-850 complex treated with Triton X-100, we have assumed that all bacteriochlorophyll pigments absorbing at 850 nm exhibit the same additional rotation of similar to 20 degrees around the axis perpendicular to the membrane plane. This has been sufficient to fit the transformation in absorption and circular dichroism spectra induced by detergent treatment of the B800-850 complex.

  DOI：

  10.1080/15216540050212123