bis[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl] disulfide | 679828-91-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: bis[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl] disulfide
• CAS: 679828-91-2
• 化学式: C₄₀H₆₈N₂O₃₀S₂
• 分子量: 1121.11
• InChiKey: XNLISJXIVQIWNN-ISQCJJBISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.45
• 重原子数：
  74.0
• 可旋转键数：
  19.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  514.64
• 氢给体数：
  20.0
• 氢受体数：
  32.0

反应信息

• 作为反应物：
  描述：

  bis[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl] disulfide 在 sodium hydroxide 、 sodium tetrahydroborate 、 hexa-bromo-polyethylene glycol 6000 作用下， 反应 98.0h， 生成 lacto-N-neo-tetraose
  参考文献：
  名称：

  Enzymatic supported synthesis of lacto-N-neotetraose using dendrimeric polyethylene glycol

  摘要：

  The lacto-N-neotetraose tetrasaccharide was synthesized on a new dendrimeric support, based on polyethylene glycol. Starting from 1-thio-beta-D-lactose, the trisaccharide (2-acetamido-2-deoxy-beta-D-glucopyranosyl)-(1 --> 3)-O-beta-D-galactopyranosyl-(1 --> 4)-1-thio-beta-D-glucopyranose was obtained using Neisseria meningitidis beta-(1--> 3)-N-acetylglucosaminyltransferase according to a soluble synthesis approach, bound on the support and galactosylated using the milk beta-(1 --> 4)-galactosyl transferase to give after cleavage the tetrasaccharide lacto-N-neotetraose. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2003.11.017
• 作为产物：
  描述：

  2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-1-thio-β-D-glucopyranose 在 β-(1->3)-N-acetylglycosaminyltransferase 、 cacodylate buffer 、 碘 、 sodium methylate 、 manganese(ll) chloride 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 72.0h， 生成 bis[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl] disulfide
  参考文献：
  名称：

  Enzymatic supported synthesis of lacto-N-neotetraose using dendrimeric polyethylene glycol

  摘要：

  The lacto-N-neotetraose tetrasaccharide was synthesized on a new dendrimeric support, based on polyethylene glycol. Starting from 1-thio-beta-D-lactose, the trisaccharide (2-acetamido-2-deoxy-beta-D-glucopyranosyl)-(1 --> 3)-O-beta-D-galactopyranosyl-(1 --> 4)-1-thio-beta-D-glucopyranose was obtained using Neisseria meningitidis beta-(1--> 3)-N-acetylglucosaminyltransferase according to a soluble synthesis approach, bound on the support and galactosylated using the milk beta-(1 --> 4)-galactosyl transferase to give after cleavage the tetrasaccharide lacto-N-neotetraose. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2003.11.017