2-{2-[2-(2-Carboxymethoxy-ethoxy)-ethoxy]-ethylsulfanyl}-succinic acid bis-((Z)-octadec-9-enyl) ester | 396106-53-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-{2-[2-(2-Carboxymethoxy-ethoxy)-ethoxy]-ethylsulfanyl}-succinic acid bis-((Z)-octadec-9-enyl) ester
• CAS: 396106-53-9
• 化学式: C₄₈H₈₈O₉S
• 分子量: 841.287
• InChiKey: FIUMLJGQMZVXEU-CLFAGFIQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.77
• 重原子数：
  58.0
• 可旋转键数：
  47.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  117.59
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  β-D-galactopyranosylmethylamine 、 2-{2-[2-(2-Carboxymethoxy-ethoxy)-ethoxy]-ethylsulfanyl}-succinic acid bis-((Z)-octadec-9-enyl) ester 生成 2-{2-[2-(2-{[((2S,3R,4R,5R,6R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylmethyl)-carbamoyl]-methoxy}-ethoxy)-ethoxy]-ethylsulfanyl}-succinic acid bis-((Z)-octadec-9-enyl) ester
  参考文献：
  名称：

  Quantitative Studies of Binding between Synthetic Galactosyl Ceramide Analogues and HIV-1 Gp120 at Planar Membrane Surfaces

  摘要：

  A critical spacer arm length necessary to promote efficient binding of the HIV-1 surface glycoprotein rgp120 to several synthetic galactosyl-conjugated lipids, reconstituted into planar lipid bilayers, was identified. This should aid the design of anti-HIV-1 agents based on membrane-tethered, carbohydrate-based receptors for gp120.

  DOI：

  10.1002/1521-3773(20010618)40:12<2320::aid-anie2320>3.0.co;2-x
• 作为产物：
  描述：

  油醇 生成 2-{2-[2-(2-Carboxymethoxy-ethoxy)-ethoxy]-ethylsulfanyl}-succinic acid bis-((Z)-octadec-9-enyl) ester
  参考文献：
  名称：

  Quantitative Studies of Binding between Synthetic Galactosyl Ceramide Analogues and HIV-1 Gp120 at Planar Membrane Surfaces

  摘要：

  A critical spacer arm length necessary to promote efficient binding of the HIV-1 surface glycoprotein rgp120 to several synthetic galactosyl-conjugated lipids, reconstituted into planar lipid bilayers, was identified. This should aid the design of anti-HIV-1 agents based on membrane-tethered, carbohydrate-based receptors for gp120.

  DOI：

  10.1002/1521-3773(20010618)40:12<2320::aid-anie2320>3.0.co;2-x