9-[2-[2-(6-Aminopurin-9-yl)ethyldisulfanyl]ethyl]purin-6-amine | 130411-50-6

• 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-[2-[2-(6-Aminopurin-9-yl)ethyldisulfanyl]ethyl]purin-6-amine
• CAS: 130411-50-6
• 化学式: C₁₄H₁₆N₁₀S₂
• 分子量: 388.48
• InChiKey: PPFIUNUFWVPSAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  6-amino-9-(2-sulfosulfanylethyl)purine 在 sodium tetrahydroborate 作用下， 以 水 为溶剂， 反应 6.0h， 以90%的产率得到9-[2-[2-(6-Aminopurin-9-yl)ethyldisulfanyl]ethyl]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

• TSALMANE, L. V.;LIDAK, M. YU., BIOORGAN. XIMIYA, 16,(1990) N, S. 976-980
  作者：TSALMANE, L. V.、LIDAK, M. YU.

  DOI：——

  日期：——