Tetradecanoic acid 2-((2-chloro-phenoxy)-{2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-ethoxy}-phosphoryloxy)-1-tetradecanoyloxymethyl-ethyl ester | 96802-16-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: Tetradecanoic acid 2-((2-chloro-phenoxy)-{2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-ethoxy}-phosphoryloxy)-1-tetradecanoyloxymethyl-ethyl ester
• CAS: 96802-16-3
• 化学式: C₆₄H₈₅ClN₅O₁₁P
• 分子量: 1166.83
• InChiKey: RMHRHUKPVMOUEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.33
• 重原子数：
  82.0
• 可旋转键数：
  41.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  191.42
• 氢给体数：
  2.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  Tetradecanoic acid 2-((2-chloro-phenoxy)-{2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-ethoxy}-phosphoryloxy)-1-tetradecanoyloxymethyl-ethyl ester 在 对甲苯磺酸一水合物 、 四丁基氟化铵 作用下， 生成 Tetradecanoic acid 2-{[2-(2-amino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethoxy]-hydroxy-phosphoryloxy}-1-tetradecanoyloxymethyl-ethyl ester; compound with triethyl-amine
  参考文献：
  名称：

  The Chemical Synthesis and Antiviral Properties of an Acyclovir-phospholipid Conjugate.

  摘要：

  The synthesis of acyclovir-phospholipid conjugate (2) is reported through an unambiguous one-step preparation of L-alpha-dimyristoyl phosphatidic acid triethylammonium salt (5). The biological activity of 2 as an antiviral drug has also been investigated.

  DOI：

  10.3891/acta.chem.scand.39b-0047
• 作为产物：
  描述：

  9-氯-9-苯基氧杂蒽 以 吡啶 为溶剂， 生成 Tetradecanoic acid 2-((2-chloro-phenoxy)-{2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-ethoxy}-phosphoryloxy)-1-tetradecanoyloxymethyl-ethyl ester
  参考文献：
  名称：

  The Chemical Synthesis and Antiviral Properties of an Acyclovir-phospholipid Conjugate.

  摘要：

  The synthesis of acyclovir-phospholipid conjugate (2) is reported through an unambiguous one-step preparation of L-alpha-dimyristoyl phosphatidic acid triethylammonium salt (5). The biological activity of 2 as an antiviral drug has also been investigated.

  DOI：

  10.3891/acta.chem.scand.39b-0047