3',5'-di-O-(2,2,6,6-tetramethyl-1-oxylpiperidine-4-carbonyl)-2'-deoxyguanosine | 1161916-94-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 3',5'-di-O-(2,2,6,6-tetramethyl-1-oxylpiperidine-4-carbonyl)-2'-deoxyguanosine
• 英文别名: [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-carbonyl)oxyoxolan-2-yl]methyl 2,2,6,6-tetramethyl-1-oxidopiperidine-4-carboxylate
• CAS: 1161916-94-4
• 化学式: C₃₀H₄₅N₇O₈
• 分子量: 631.729
• InChiKey: QBELSBBIFROQLZ-XUVXKRRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  194
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  3',5'-di-O-(2,2,6,6-tetramethyl-1-oxylpiperidine-4-carbonyl)-2'-deoxyguanosine 在 苯肼 作用下， 以 氘代二甲亚砜 为溶剂， 生成 (2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(((1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy)methyl)tetrahydrofuran-3-yl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
  参考文献：
  名称：

  Self-Assembled Hexadecanitroxide

  摘要：

  A radical-armed guanosine derivative shows drastic magnetic changes by addition (removal) of alkali metal cations corresponding to the reversible assembly (disassembly). In the presence of templating metal ions, the assembly is formed by 8 molecules and 16 open-shell moieties confined in a sphere with a diameter of ca. 30 angstrom.

  DOI：

  10.1021/ol901028h
• 作为产物：
  描述：

  4-羧基-2,2,6,6-四甲基氮杂环己烷-1-氧基自由基 、 2'-脱氧鸟苷 在 2,4,6-三异丙基苯磺酰氯 、 三乙胺 、 4-二甲氨基吡啶 作用下， 以 乙腈 为溶剂， 以30%的产率得到3',5'-di-O-(2,2,6,6-tetramethyl-1-oxylpiperidine-4-carbonyl)-2'-deoxyguanosine
  参考文献：
  名称：

  Self-Assembled Hexadecanitroxide

  摘要：

  A radical-armed guanosine derivative shows drastic magnetic changes by addition (removal) of alkali metal cations corresponding to the reversible assembly (disassembly). In the presence of templating metal ions, the assembly is formed by 8 molecules and 16 open-shell moieties confined in a sphere with a diameter of ca. 30 angstrom.

  DOI：

  10.1021/ol901028h

文献信息

• Self-Assembled Hexadecanitroxide
  作者：Paolo Neviani、Elisabetta Mileo、Stefano Masiero、Silvia Pieraccini、Marco Lucarini、Gian Piero Spada

  DOI：10.1021/ol901028h

  日期：2009.7.16

  A radical-armed guanosine derivative shows drastic magnetic changes by addition (removal) of alkali metal cations corresponding to the reversible assembly (disassembly). In the presence of templating metal ions, the assembly is formed by 8 molecules and 16 open-shell moieties confined in a sphere with a diameter of ca. 30 angstrom.