3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-thiophen-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one | 1380394-39-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-thiophen-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
• CAS: 1380394-39-7
• 化学式: C₁₅H₁₅N₃O₄S
• 分子量: 333.368
• InChiKey: RRMCHXAPDLPGGW-DMDPSCGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  123
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 sodium tetrachloroaurate(III) dihyrate 作用下， 以 乙醇 为溶剂， 以48%的产率得到3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-thiophen-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
  参考文献：
  名称：

  Design, Synthesis, and Spectroscopic Properties of Extended and Fused Pyrrolo-dC and Pyrrolo-C Analogs

  摘要：

  The syntheses of four fluorescent nucleoside analogs, related to pyrrolo-C (PyC) and pyrrolo-dC (PydC) through the conjugation or fusion of a thiophene moiety, are described. A thorough photophysical analysis of the nucleosides, in comparison to PyC, is reported.

  DOI：

  10.1021/ol3012327

文献信息

• Design, Synthesis, and Spectroscopic Properties of Extended and Fused Pyrrolo-dC and Pyrrolo-C Analogs
  作者：Mary S. Noé、Andro C. Ríos、Yitzhak Tor

  DOI：10.1021/ol3012327

  日期：2012.6.15

  The syntheses of four fluorescent nucleoside analogs, related to pyrrolo-C (PyC) and pyrrolo-dC (PydC) through the conjugation or fusion of a thiophene moiety, are described. A thorough photophysical analysis of the nucleosides, in comparison to PyC, is reported.