β-D-GlcpNAc-(1-3)-<β-D-Galp-(1-4)-β-D-GlcpNAc-(1-6)>-β-D-Galp-(1-4)-β-D-GlcOMe | 106875-65-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-D-GlcpNAc-(1-3)-<β-D-Galp-(1-4)-β-D-GlcpNAc-(1-6)>-β-D-Galp-(1-4)-β-D-GlcOMe
• 英文别名: β-D-GlcpNAc-(1-3)-(β-D-Galp-(1-4)-β-D-GlcpNAc-(1-6))-β-D-Galp-(1-4)-β-D-GlcOMe
• CAS: 106875-65-4
• 化学式: C₃₅H₆₀N₂O₂₆
• 分子量: 924.859
• InChiKey: YMWDGGZQMYWESZ-PHNBNMEASA-N

物化性质

• 沸点：
  1306.7±65.0 °C(Predicted)
• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -10.98
• 重原子数：
  63.0
• 可旋转键数：
  16.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  433.72
• 氢给体数：
  16.0
• 氢受体数：
  26.0

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 β-D-GlcpNAc-(1-3)-<β-D-Galp-(1-4)-β-D-GlcpNAc-(1-6)>-β-D-Galp-(1-4)-β-D-GlcOMe 在 吡啶 作用下， 生成
  参考文献：
  名称：

  The use of an immobilised cyclic multi-enzyme system to synthesise branched penta- and hexa-saccharides associated with blood-group I epitopes

  摘要：

  The branched hexasaccharide beta-D-Galp-(1----4)-beta-D-GlcpNAc-(1----3)- [beta-D-Galp-(1----4)-beta-D-GlcpNAc-(1----6)]-beta-D-Galp-(1----4)-beta -D- GlcOMe (1) was obtained on a 0.1-mmol scale by enzymic bigalactosylation of the tetrasaccharide beta-D-GlcpNAc-(1----3)-[beta-D-GlcpNAc-(1----6)]-beta-D-Galp-(1----4)-b eta- D-GlcOMe by the use of an immobilised multi-enzyme system which regenerated UDP-alpha-D-galactose in situ. The formation of 1 proceeded in two steps. An intermediate compound was identified on the basis of 1H- and 13C-n.m.r. data as the pentasaccharide beta-D-GlcpNAc-(1----3)-[beta-D-Galp-(1----4)-beta-D-GlcpNAc-(1----6)]-b eta- D-Galp-(1----4)-beta-D-GlcOMe.

  DOI：

  10.1016/s0008-6215(00)90336-7
• 作为产物：
  描述：

  methyl O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-(1-3)-O-<(2-acetamido-2-deoxy-β-D-glucopyranosyl)-(1-6)>-O-β-D-galactopyranosyl-(1-4)-β-D-glucopyranoside 、 对氟苯甲醇 在 尿苷(5')二氢二磷酰(1)-alpha-D-葡萄糖 、 磷烯醇丙酮酸 、 EC 2.7.7.9 、 EC 3.6.1.1 、 EC 5.1.3.2 、 five immobilized enzymes: EC 2.4.1.22 、 inorganic salts 、 β-烟酰胺腺嘌呤二核苷酸 、 1,4-二巯基-2,3-丁二醇 作用下， 生成 β-D-GlcpNAc-(1-3)-<β-D-Galp-(1-4)-β-D-GlcpNAc-(1-6)>-β-D-Galp-(1-4)-β-D-GlcOMe 、 methyl O-β-D-galactopyranosyl-(1-4)-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-(1-3)-O-<(β-D-galactopyranosyl)-(1-4)-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-(1-6)>-O-β-D-galactopyranosyl-(1-4)-β-D-glucopyranoside
  参考文献：
  名称：

  The use of an immobilised cyclic multi-enzyme system to synthesise branched penta- and hexa-saccharides associated with blood-group I epitopes

  摘要：

  The branched hexasaccharide beta-D-Galp-(1----4)-beta-D-GlcpNAc-(1----3)- [beta-D-Galp-(1----4)-beta-D-GlcpNAc-(1----6)]-beta-D-Galp-(1----4)-beta -D- GlcOMe (1) was obtained on a 0.1-mmol scale by enzymic bigalactosylation of the tetrasaccharide beta-D-GlcpNAc-(1----3)-[beta-D-GlcpNAc-(1----6)]-beta-D-Galp-(1----4)-b eta- D-GlcOMe by the use of an immobilised multi-enzyme system which regenerated UDP-alpha-D-galactose in situ. The formation of 1 proceeded in two steps. An intermediate compound was identified on the basis of 1H- and 13C-n.m.r. data as the pentasaccharide beta-D-GlcpNAc-(1----3)-[beta-D-Galp-(1----4)-beta-D-GlcpNAc-(1----6)]-b eta- D-Galp-(1----4)-beta-D-GlcOMe.

  DOI：

  10.1016/s0008-6215(00)90336-7