2-ethyl-3-hydroxy-3-methyl-valeric acid | 854878-80-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-ethyl-3-hydroxy-3-methyl-valeric acid
• 英文别名: β-Oxy-α.β-diaethyl-buttersaeure；2-Aethyl-3-hydroxy-3-methyl-valeriansaeure；β-Oxy-β-methyl-α-aethyl-n-valeriansaeure；4-Oxy-4-methyl-hexan-carbonsaeure-(3)；2-Ethyl-3-hydroxy-3-methylpentanoic acid
• CAS: 854878-80-1
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: XAPBKWKNZKIIJI-UHFFFAOYSA-N

物化性质

• 沸点：
  132-136 °C(Press: 20 Torr)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-ethyl-3-hydroxy-3-methyl-valeric acid 在 氯化亚砜 作用下， 生成 2-ethyl-3-methyl-pent-4-enoyl chloride
  参考文献：
  名称：

  Kon; Narayanan, Journal of the Chemical Society, 1927, p. 1544

  摘要：

  DOI：
• 作为产物：
  描述：

  2-ethyl-3-hydroxy-3-methyl-valeric acid ethyl ester 生成 2-ethyl-3-hydroxy-3-methyl-valeric acid
  参考文献：
  名称：

  Kon; Narayanan, Journal of the Chemical Society, 1927, p. 1544

  摘要：

  DOI：

文献信息

• Mazurewitsch, Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1910, vol. 42, p. 896
  作者：Mazurewitsch

  DOI：——

  日期：——
• METHOD FOR ANALYSING METABOLITES
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP1695088B1

  公开（公告）日：2012-04-18
• [EN] METHOD FOR ANALYSING METABOLITES<br/>[FR] PROCEDE D'ANALYSE DE METABOLITES
  申请人：MAX PLANCK GESELLLSCHAFT ZUR F

  公开号：WO2005059556A1

  公开（公告）日：2005-06-30

  Described is a method for analysing the metabolites of a biological sample which comprises quantitatively determining one or more metabolites in said sample in a way that said quantitative determination resolves isotopic mass differences within one metabolite, said method being characterized in that the sample comprises or is derived from a cell which has been maintained under conditions allowing the uptake of an isotopically labeled metabolizable compound so that the metabolites in said cell are saturated with the isotope with which said metabolizable compound is labeled. This method may further comprise, prior to quantitative determining the metabolites, combining the biological sample (i.e. the first biological sample) with a second biological sample in which the metabolites are not isotopically labeled or are isotopically labeled differently from the first biological sample; and determining in said biological samples the relative quantity of metabolites which differ by their isotopical label. Furthermore described is a set of isotopically labeled metabolites obtainable by applying this method, as well as kits facilitating the application of this method and corresponding uses.
• Kon; Narayanan, Journal of the Chemical Society, 1927, p. 1544
  作者：Kon、Narayanan

  DOI：——

  日期：——