Acetic acid (2R,3R,4S,5S,6R)-5-acetoxy-6-acetoxymethyl-2-(4-acetylamino-phenoxy)-4-((2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester | 188302-05-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Acetic acid (2R,3R,4S,5S,6R)-5-acetoxy-6-acetoxymethyl-2-(4-acetylamino-phenoxy)-4-((2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester
• CAS: 188302-05-8
• 化学式: C₃₄H₄₃NO₁₉
• 分子量: 769.711
• InChiKey: BNSCXUCDJZHZEC-OMYGPFGHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.64
• 重原子数：
  54.0
• 可旋转键数：
  14.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  250.12
• 氢给体数：
  1.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (2R,3R,4S,5S,6R)-5-acetoxy-6-acetoxymethyl-2-(4-acetylamino-phenoxy)-4-((2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester 在 molecular sieve 、 ammonium cerium(IV) nitrate 、 三氟甲磺酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 乙二胺 作用下， 以 正丁醇 为溶剂， 反应 12.75h， 生成
  参考文献：
  名称：

  Chemoenzymatic synthesis of Galα1-3Gal, Galα1-3Galβ1-4GlcNAc and their PEG-conjugates.

  摘要：

  Gal alpha 1-3Gal-pNP was prepared enzymatically from Gal-pNP using alpha-galactosidase from coffee beans. PEG was attached after the reduction of nitro group into amino group to give Gal alpha 1-3Gal-PEG conjugate. After removing the pNP group in Gal alpha 1-3Gal-pNP, the obtained disaccharide was used for the synthesis of Gal alpha 1-3Gal beta 1-4GlcNAc and corresponding trisaccharide-PEG conjugate. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00017-6
• 作为产物：
  描述：

  p-aminophenyl 3-O-(α-D-galactopyranosyl)-α-D-galactopyranoside 、 alkaline earth salt of/the/ methylsulfuric acid 生成 Acetic acid (2R,3R,4S,5S,6R)-5-acetoxy-6-acetoxymethyl-2-(4-acetylamino-phenoxy)-4-((2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Chemoenzymatic synthesis of Galα1-3Gal, Galα1-3Galβ1-4GlcNAc and their PEG-conjugates.

  摘要：

  Gal alpha 1-3Gal-pNP was prepared enzymatically from Gal-pNP using alpha-galactosidase from coffee beans. PEG was attached after the reduction of nitro group into amino group to give Gal alpha 1-3Gal-PEG conjugate. After removing the pNP group in Gal alpha 1-3Gal-pNP, the obtained disaccharide was used for the synthesis of Gal alpha 1-3Gal beta 1-4GlcNAc and corresponding trisaccharide-PEG conjugate. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00017-6