(2R,3S,5R)-2-Hydroxymethyl-5-{2-[2-(4-nitro-phenyl)-ethoxy]-purin-9-yl}-tetrahydro-furan-3-ol | 217074-38-9

• 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: (2R,3S,5R)-2-Hydroxymethyl-5-{2-[2-(4-nitro-phenyl)-ethoxy]-purin-9-yl}-tetrahydro-furan-3-ol
• 英文别名: (2R,3S,5R)-2-(hydroxymethyl)-5-[2-[2-(4-nitrophenyl)ethoxy]purin-9-yl]oxolan-3-ol
• CAS: 217074-38-9
• 化学式: C₁₈H₁₉N₅O₆
• 分子量: 401.379
• InChiKey: DWUQODYGBFIKDS-ARFHVFGLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.0
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  145.66
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (2R,3S,5R)-2-Hydroxymethyl-5-{2-[2-(4-nitro-phenyl)-ethoxy]-purin-9-yl}-tetrahydro-furan-3-ol 在 吡啶 、 二异丙基铵盐四氮唑 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 Diisopropyl-phosphoramidous acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-{2-[2-(4-nitro-phenyl)-ethoxy]-purin-9-yl}-tetrahydro-furan-3-yl ester 2-cyano-ethyl ester
  参考文献：
  名称：

  Thermal stability studies of the non canonical base pair between 5-methyl-isocytosine and isohypoxanthine

  摘要：

  The hybridization properties of 5-methyl-isocytosine ((5Me)isoC) and isohypoxanthine (isoI) have been investigated by using ultraviolet melting techniques. These two bases were incorporated into heptadecanucleotides using the phosphoramidite chemistry. The base pair (5Me)isoC/isoI was found to be isoenergetic with the A/T base pair. A small destabilization was observed when isoI was located opposite T or G and can be interpreted by a pairing mode between these bases and isoI in its lactam form. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00820-5
• 作为产物：
  描述：

  9-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-ol 在 吡啶 、 ammonium hydroxide 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 反应 1.0h， 生成 (2R,3S,5R)-2-Hydroxymethyl-5-{2-[2-(4-nitro-phenyl)-ethoxy]-purin-9-yl}-tetrahydro-furan-3-ol
  参考文献：
  名称：

  Thermal stability studies of the non canonical base pair between 5-methyl-isocytosine and isohypoxanthine

  摘要：

  The hybridization properties of 5-methyl-isocytosine ((5Me)isoC) and isohypoxanthine (isoI) have been investigated by using ultraviolet melting techniques. These two bases were incorporated into heptadecanucleotides using the phosphoramidite chemistry. The base pair (5Me)isoC/isoI was found to be isoenergetic with the A/T base pair. A small destabilization was observed when isoI was located opposite T or G and can be interpreted by a pairing mode between these bases and isoI in its lactam form. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00820-5