| 180000-31-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• CAS: 180000-31-1
• 化学式: C₄₃H₄₁N₅O₉
• 分子量: 771.827
• InChiKey: YQBKHCLSAFBVCJ-ZTJXOPACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.04
• 重原子数：
  57.0
• 可旋转键数：
  16.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  173.22
• 氢给体数：
  2.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  五氯酚 、 在 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以492 mg的产率得到
  参考文献：
  名称：

  Homo-N-oligonucleotides (N1/N9−C1‘ Methylene Bridge Oligonucleotides):  Nucleic Acids with Left-Handed Helicity

  摘要：

  Oligonucleotides containing a methylene bridge between N1 or N9 of the heterocyclic base and C1' of the pentofuranosyl ring (homo-N-oligonucleotides) were synthesized. Melting curves revealed that such homo-type oligomers could cross-pair with complementary homo-type or natural oligomers. Circular-dichroic studies provide evidence that the homo-type dinners have a left-handed stacked conformation and further suggest that single-stranded and double-stranded homo-type oligomers adopt a left-handed conformation, while duplexes with natural oligomers or nucleic acids form RNA-like right-handed helices. NMR spectroscopy (NOESY) provides supporting evidence for a left-handed stacked conformation of the homo-type dimer, while atomic force microscopy indicates a left-handed helical conformation of homotype dsDNA. Homo-type dinners and oligomers showed high resistance to digestion by snake-venom and calf-spleen phosphodiesterases and nuclease S1.

  DOI：

  10.1021/ja049865t
• 作为产物：
  描述：

  2,5-Anhydro-1,3-dideoxy-1-(N-benzoyladenin-9-yl)-D-allitol 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  Homo-N-oligonucleotides (N1/N9−C1‘ Methylene Bridge Oligonucleotides):  Nucleic Acids with Left-Handed Helicity

  摘要：

  Oligonucleotides containing a methylene bridge between N1 or N9 of the heterocyclic base and C1' of the pentofuranosyl ring (homo-N-oligonucleotides) were synthesized. Melting curves revealed that such homo-type oligomers could cross-pair with complementary homo-type or natural oligomers. Circular-dichroic studies provide evidence that the homo-type dinners have a left-handed stacked conformation and further suggest that single-stranded and double-stranded homo-type oligomers adopt a left-handed conformation, while duplexes with natural oligomers or nucleic acids form RNA-like right-handed helices. NMR spectroscopy (NOESY) provides supporting evidence for a left-handed stacked conformation of the homo-type dimer, while atomic force microscopy indicates a left-handed helical conformation of homotype dsDNA. Homo-type dinners and oligomers showed high resistance to digestion by snake-venom and calf-spleen phosphodiesterases and nuclease S1.

  DOI：

  10.1021/ja049865t