9-[4-[4-(6-Aminopurin-9-yl)butyldisulfanyl]butyl]purin-6-amine | 1187037-09-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 9-[4-[4-(6-Aminopurin-9-yl)butyldisulfanyl]butyl]purin-6-amine
• 英文别名: 9-[4-[4-(6-aminopurin-9-yl)butyldisulfanyl]butyl]purin-6-amine
• CAS: 1187037-09-7
• 化学式: C₁₈H₂₄N₁₀S₂
• 分子量: 444.588
• InChiKey: XBHZJCOOQQMFSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  190
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  S-(4-(6-amino-9H-purin-9-yl)butyl) O-hydrogen sulfurothioate 在 sodium tetrahydroborate 作用下， 以 水 为溶剂， 反应 6.0h， 以78%的产率得到9-[4-[4-(6-Aminopurin-9-yl)butyldisulfanyl]butyl]purin-6-amine
  参考文献：
  名称：

  Self-Assembled Monolayers of Double-Chain Disulfides of Adenine on Au: An IR-UV Sum-Frequency Generation Spectroscopic Study

  摘要：

  We have synthesized double-chain disulfides of adenine with different chain lengths (n = 2,4, 5, 9, and 10) and studied their self-assembled monolayers (SAM) oil gold surface by IR-UV doubly resonant sum frequency generation spectroscopy with the help of DFT calculation. A versatile way to investigate the orientation angle of functional groups of SAMs and their surface coverage has been demonstrated, It was revealed that the I R dipoles of the band at around 1630 cm(-1), which were almost parallel to the long molecular axis of the adenine ring, were less tilted with respect to the substrate surface in the SAMs with longer chains (n = 9 and W) in comparison to those with shorter chains (n = 2, 4, and 5).

  DOI：

  10.1021/la9021992

文献信息

• Self-Assembled Monolayers of Double-Chain Disulfides of Adenine on Au: An IR-UV Sum-Frequency Generation Spectroscopic Study
  作者：Tetsuhiko Nagahara、Takumi Suemasu、Misako Aida、Taka-aki Ishibashi

  DOI：10.1021/la9021992

  日期：2010.1.5

  We have synthesized double-chain disulfides of adenine with different chain lengths (n = 2,4, 5, 9, and 10) and studied their self-assembled monolayers (SAM) oil gold surface by IR-UV doubly resonant sum frequency generation spectroscopy with the help of DFT calculation. A versatile way to investigate the orientation angle of functional groups of SAMs and their surface coverage has been demonstrated, It was revealed that the I R dipoles of the band at around 1630 cm(-1), which were almost parallel to the long molecular axis of the adenine ring, were less tilted with respect to the substrate surface in the SAMs with longer chains (n = 9 and W) in comparison to those with shorter chains (n = 2, 4, and 5).