3'-O-[4''-(17'''-azido-3''',6''',9''',12''',15'''-pentaoxaheptadecan-1'''-oxy)-5''-methoxy-2''-nitrophenylmethyl]-5'-O-(tert-butyldimethylsilyl)-3-N-benzoylthymidine | 906007-12-3

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 3'-O-[4''-(17'''-azido-3''',6''',9''',12''',15'''-pentaoxaheptadecan-1'''-oxy)-5''-methoxy-2''-nitrophenylmethyl]-5'-O-(tert-butyldimethylsilyl)-3-N-benzoylthymidine
• CAS: 906007-12-3
• 化学式: C₄₃H₆₂N₆O₁₅Si
• 分子量: 931.082
• InChiKey: HXEYKFFDXZZVRS-LCKTVPPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.59
• 重原子数：
  65.0
• 可旋转键数：
  29.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  245.27
• 氢给体数：
  0.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  3'-O-[4''-(17'''-azido-3''',6''',9''',12''',15'''-pentaoxaheptadecan-1'''-oxy)-5''-methoxy-2''-nitrophenylmethyl]-5'-O-(tert-butyldimethylsilyl)-3-N-benzoylthymidine 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以0.2104 g的产率得到
  参考文献：
  名称：

  A diversity oriented synthesis of 3′-O-modified nucleoside triphosphates for DNA ‘sequencing by synthesis’

  摘要：

  The nucleoside triphosphates 1, containing a photochemically cleavable group, and 2, having one that may be cleaved via palladium catalysis, were prepared as a prelude to investigating sequencing of DNA via sequencing by synthesis. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.035
• 作为产物：
  描述：

  1-azido-17-(4'-bromomethyl-2'-methoxy-5'-nitrophenoxy)-3,6,9,12,15-pentaoxaheptadecane 、 5'-O-(tert-butyldimethylsilyl)-(N₃-benzoyl)thymidine 在 sodium hydroxide 、 四丁基氢氧化铵 、 sodium iodide 作用下， 以 氯仿 为溶剂， 反应 12.0h， 以48%的产率得到3'-O-[4''-(17'''-azido-3''',6''',9''',12''',15'''-pentaoxaheptadecan-1'''-oxy)-5''-methoxy-2''-nitrophenylmethyl]-5'-O-(tert-butyldimethylsilyl)-3-N-benzoylthymidine
  参考文献：
  名称：

  A diversity oriented synthesis of 3′-O-modified nucleoside triphosphates for DNA ‘sequencing by synthesis’

  摘要：

  The nucleoside triphosphates 1, containing a photochemically cleavable group, and 2, having one that may be cleaved via palladium catalysis, were prepared as a prelude to investigating sequencing of DNA via sequencing by synthesis. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.035