Phosphoric acid 2,3-bis-hexadecyloxy-propyl ester 2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester | 926021-59-2

• 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: Phosphoric acid 2,3-bis-hexadecyloxy-propyl ester 2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester
• CAS: 926021-59-2
• 化学式: C₄₁H₈₃O₈P
• 分子量: 735.079
• InChiKey: NSLIERQKRHZILN-UHFFFAOYSA-N

物化性质

• 沸点：
  736.6±70.0 °C(Predicted)
• 密度：
  0.972±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.64
• 重原子数：
  50.0
• 可旋转键数：
  39.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  92.68
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  Phosphoric acid 2,3-bis-hexadecyloxy-propyl ester 2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester 在 溶剂黄146 作用下， 反应 2.0h， 以730 mg的产率得到rac-1,2-dihexadecyl-3-phosphoglycerol
  参考文献：
  名称：

  Synthesis and surface activity of diether-linked phosphoglycerols: Potential applications for exogenous lung surfactants

  摘要：

  The synthesis of three phosphoglycerols is described, one of which contains the previously unknown phosphonoglycerol headgroup. The surface tension-lowering capabilities of synthetic lung surfactant mixtures containing the PG analogs wore measured on the pulsating bubble surfactometer and compared to known controls. The PG-containing mixtures exhibited superior surface tension-lowering properties indicating the significant potential of these analogs as components in synthetic exogenous lung surfactants. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.083
• 作为产物：
  描述：

  1,2-O-双十六烷基-rac-甘油 在 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 19.0h， 生成 Phosphoric acid 2,3-bis-hexadecyloxy-propyl ester 2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester
  参考文献：
  名称：

  Synthesis and surface activity of diether-linked phosphoglycerols: Potential applications for exogenous lung surfactants

  摘要：

  The synthesis of three phosphoglycerols is described, one of which contains the previously unknown phosphonoglycerol headgroup. The surface tension-lowering capabilities of synthetic lung surfactant mixtures containing the PG analogs wore measured on the pulsating bubble surfactometer and compared to known controls. The PG-containing mixtures exhibited superior surface tension-lowering properties indicating the significant potential of these analogs as components in synthetic exogenous lung surfactants. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.083