Phosphoric acid 2-chloro-phenyl ester 2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-ethyl ester; compound with triethyl-amine | 96802-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: Phosphoric acid 2-chloro-phenyl ester 2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-ethyl ester; compound with triethyl-amine
• CAS: 96802-12-9
• 化学式: C₆H₁₅N*C₃₃H₂₇ClN₅O₇P
• 分子量: 773.225
• InChiKey: MOYVPEBAXLONLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  54.0
• 可旋转键数：
  14.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  153.06
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  Phosphoric acid 2-chloro-phenyl ester 2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-ethyl ester; compound with triethyl-amine 在 对甲苯磺酸一水合物 、 四丁基氟化铵 作用下， 以 吡啶 为溶剂， 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 Phosphoric acid 2-chloro-phenyl ester 2-[6-oxo-2-(9-phenyl-9H-xanthen-9-ylamino)-1,6-dihydro-purin-9-ylmethoxy]-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