[(2R,3S,5R)-3-[hydroxy-[2-[5-[5-[5-[5-[2-[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxyethyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate | 1032650-22-8

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• 英文名称: [(2R,3S,5R)-3-[hydroxy-[2-[5-[5-[5-[5-[2-[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxyethyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
• CAS: 1032650-22-8
• 化学式: C₆₀H₇₀N₈O₃₀P₄S₄
• 分子量: 1635.41
• InChiKey: MMYWZUBWINLHTM-CRNLRLHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  106
• 可旋转键数：
  31
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  611
• 氢给体数：
  10
• 氢受体数：
  34

反应信息

• 作为产物：
  描述：

  在 1,1,2,3-四甲基胍 、 ammonium hydroxide 作用下， 以 吡啶 为溶剂， 反应 40.0h， 生成 [(2R,3S,5R)-3-[hydroxy-[2-[5-[5-[5-[5-[2-[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxyethyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
  参考文献：
  名称：

  水溶性，电活性和光致发光的四噻吩-二核苷酸共轭物。

  摘要：

  四噻吩-二核苷酸缀合物5'TA3'-t4-3'AT5'，5'AA3'-t4-3'AA5'和5'TT3'-t4-3'TT5'（TA：胸苷-腺苷，AA：腺苷-腺苷，TT：胸苷-胸苷）的合成和分析，结合了光谱学和显微镜，电学表征和理论计算。圆二色性（CD）实验表明，在高离子强度和流延膜中，手性从二核苷酸向四噻吩转移。所述膜是光致发光的和电活性的。CD和光致发光光谱和电流密度/电压图（在动态真空下测量）显示了在改变二核苷酸支架上的显着变化。

  DOI：

  10.1002/chem.200700950