| 194039-99-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 194039-99-1
• 化学式: C₄₀H₃₈O₁₅
• 分子量: 758.733
• InChiKey: GMUHOFBDNDOSIB-YHTCPTKMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  55.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  213.81
• 氢给体数：
  4.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  在 2,4,6-三甲基吡啶 、 氢溴酸 、 silver trifluoromethanesulfonate 作用下， 以 吡啶 、 溶剂黄146 、 甲苯 为溶剂， 反应 2.0h， 生成 methyl 2,3,6-tri-O-benzoyl-4-O-(2,3,4,6-tetra-O-benzoyl-α-D-galactopyranosyl)-β-D-galactopyranoside
  参考文献：
  名称：

  Synthesis of di- and tri-saccharides corresponding to receptor structures recognised by pyelonephritogenic E. coli fimbriae (pili)

  摘要：

  Syntheses are described of di- and tri-saccharides required for studies of the inhibition of adhesion by means of fimbriae of pyelonephritogenic E. coli bacteria to epithelium cells in the urinary tract containing suitable receptor sites. The disaccharides are the rho-nitrophenyl and methyl glycosides of 4-omicron-alpha-D-galactopyranosyl-beta-D-galactopyranose, and the trisaccharides are the rho-nitrophenyl and methyl glycosides of 4-omicron-(4-omicron-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)-beta- D-glucopyranose. The key aglycons were the 1,2,3,6-tetrabenzoate of alpha-D-galactose and the 1,2,3,6,-2',3',6'-heptabenzoate of alpha-lactose. Glycosidations were performed with 2,3,4,6-tetra-omicron-benzyl-alpha-D-galactopyranosyl chloride as glycosylating agent and silver triflate as promoter.

  DOI：

  10.1016/0008-6215(82)84007-x
• 作为产物：
  描述：

  (2R,3R,4S,5S,6R)-6-((benzoyloxy)methyl)-5-(((2R,3R,4S,5S,6R)-3,4,5-tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triyl tribenzoate 在 palladium on activated charcoal 氢气 作用下， 以 溶剂黄146 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of di- and tri-saccharides corresponding to receptor structures recognised by pyelonephritogenic E. coli fimbriae (pili)

  摘要：

  Syntheses are described of di- and tri-saccharides required for studies of the inhibition of adhesion by means of fimbriae of pyelonephritogenic E. coli bacteria to epithelium cells in the urinary tract containing suitable receptor sites. The disaccharides are the rho-nitrophenyl and methyl glycosides of 4-omicron-alpha-D-galactopyranosyl-beta-D-galactopyranose, and the trisaccharides are the rho-nitrophenyl and methyl glycosides of 4-omicron-(4-omicron-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)-beta- D-glucopyranose. The key aglycons were the 1,2,3,6-tetrabenzoate of alpha-D-galactose and the 1,2,3,6,-2',3',6'-heptabenzoate of alpha-lactose. Glycosidations were performed with 2,3,4,6-tetra-omicron-benzyl-alpha-D-galactopyranosyl chloride as glycosylating agent and silver triflate as promoter.

  DOI：

  10.1016/0008-6215(82)84007-x