9,10-dehydro-FA | 1215897-94-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 9,10-dehydro-FA
• 英文别名: 9,10-dehydro-folic acid；dehydrofolic acid
• CAS: 1215897-94-1
• 化学式: C₁₉H₁₇N₇O₆
• 分子量: 439.387
• InChiKey: MIMFJOGRLGTKBB-LBPRGKRZSA-N

物化性质

• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.09
• 重原子数：
  32.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  213.61
• 氢给体数：
  5.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  folate 在 potassium hydroxide 作用下， 以 水 为溶剂， 生成 9,10-dehydro-FA
  参考文献：
  名称：

  Fluorescence spectroscopic behaviour of folic acid

  摘要：

  The fluorescence spectroscopic behaviour of folic acid (FA) in 4 M HCl (dominant bi-cationic form), 0.1 M HCl (bi-cationic and cationic form), citric acid-NaOH pH 6 buffer (neutral form), 0.1 M and 4 M KOH (anionic form), and trifluoroacetic acid is studied. The thermal stability is investigated. Absolute absorption cross-section spectra are determined and compared with fluorescence excitation spectra. Intrinsic fluorescence quantum distributions and fluorescence quantum yields are extracted from fluorescence spectra measurements. The temporal fluorescence decay after picosecond pulse excitation is studied. The fluorescence quenching mechanisms for the different ionic forms of FA are discussed: excited-state proton release for bi-cationic FA, photo-physical non-radiative relaxation for cationic FA, and photoinduced intra-molecular electron transfer for neutral and anionic FA. Aerobic FA in 4 M KOH at elevated temperature dehydrated to 9,10-dehydro-folic acid. Its photo-dynamics was governed by twisted intramolecular charge transfer and photo-isomerisation. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.chemphys.2009.10.026