6-amino-9-(2-sulfosulfanylethyl)purine | 130411-44-8

• 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: 6-amino-9-(2-sulfosulfanylethyl)purine
• CAS: 130411-44-8
• 化学式: C₇H₉N₅O₃S₂
• 分子量: 275.312
• InChiKey: QNCVXDDXCHDIGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.06
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  123.99
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  9-(2-溴乙基)腺嘌呤 在 Sodium thiosulfate pentahydrate 作用下， 以 水 为溶剂， 反应 2.5h， 以95%的产率得到6-amino-9-(2-sulfosulfanylethyl)purine
  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