adenosinium picrate | 6128-21-8

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: adenosinium picrate
• 英文别名: adenosine; picrate；Adenosin; Picrat；(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2,4,6-trinitrophenol
• CAS: 6128-21-8
• 化学式: C₆H₃N₃O₇*C₁₀H₁₃N₅O₄
• 分子量: 496.35
• InChiKey: JPGYUTVWJUMKRU-MCDZGGTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.86
• 重原子数：
  35
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  297
• 氢给体数：
  5
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  adenosinium picrate 在 sodium periodate 作用下， 生成 (2R,4R)-2-(6-amino-purin-9-yl)-4-hydroxymethyl-3-oxa-glutaraldehyde ; picrate
  参考文献：
  名称：

  Davoll et al., Journal of the Chemical Society, 1946, p. 833,835

  摘要：

  DOI：
• 作为产物：
  描述：

  苦味酸 、 腺苷 以 水 为溶剂， 生成 adenosinium picrate
  参考文献：
  名称：

  Spectral, thermal and optical properties of adenosinium picrate: A nonlinear optical single crystal

  摘要：

  A new organic nonlinear optical material adenosinium picrate (C10H14N5O4+, C-6 H-2 N-3 O-7(-)) was synthesized. The single crystal X-ray diffraction revealed the non-centrosyrnmetric crystal structure, which is an essential criterion for second harmonic generation. The crystalline nature of the grown crystals was confirmed using powder XRD techniques. Molecular structure was confirmed by NMR spectral analysis and functional groups were identified by FT-IR spectral analysis. The optical transmittance window and the lower cutoff wavelength of the AP have been identified by UV-vis-NIR studies. Thermo gravimetric analysis (TGA) and differential thermal analysis (DTA) were used to study its thermal properties. Powder test with Nd:YAG laser radiation shows second harmonic generation. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.12.029

文献信息

• Davoll et al., Journal of the Chemical Society, 1946, p. 833,835
  作者：Davoll et al.

  DOI：——

  日期：——
• Spectral, thermal and optical properties of adenosinium picrate: A nonlinear optical single crystal
  作者：S. Gowri、T. Uma Devi、D. Sajan、S.R. Bheeter、N. Lawrence

  DOI：10.1016/j.saa.2011.12.029

  日期：2012.4

  A new organic nonlinear optical material adenosinium picrate (C10H14N5O4+, C-6 H-2 N-3 O-7(-)) was synthesized. The single crystal X-ray diffraction revealed the non-centrosyrnmetric crystal structure, which is an essential criterion for second harmonic generation. The crystalline nature of the grown crystals was confirmed using powder XRD techniques. Molecular structure was confirmed by NMR spectral analysis and functional groups were identified by FT-IR spectral analysis. The optical transmittance window and the lower cutoff wavelength of the AP have been identified by UV-vis-NIR studies. Thermo gravimetric analysis (TGA) and differential thermal analysis (DTA) were used to study its thermal properties. Powder test with Nd:YAG laser radiation shows second harmonic generation. (C) 2011 Elsevier B.V. All rights reserved.