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 | 96802-15-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油磷脂
• 英文名称: 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
• CAS: 96802-15-2
• 化学式: C₆H₁₅N*C₃₉H₇₀N₅O₁₀P
• 分子量: 901.178
• InChiKey: CSUJPCDHOQAHLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.01
• 重原子数：
  62.0
• 可旋转键数：
  39.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  210.42
• 氢给体数：
  3.0
• 氢受体数：
  14.0

反应信息

• 作为产物：
  描述：

  L-α-dimyristoyl phosphatidic acid triethylammonium salt 在 对甲苯磺酸一水合物 、 四丁基氟化铵 、 苯甲基-2-磺酰三硝基三氮唑 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