6-aminohexyl 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside acetic acid salt | 1352307-29-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-aminohexyl 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside acetic acid salt
• CAS: 1352307-29-9
• 化学式: C₂H₄O₂*C₄₀H₇₁N₃O₂₆
• 分子量: 1070.06
• InChiKey: LAJPBKUUWDHFKJ-UVFGCDLOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.0
• 重原子数：
  73.0
• 可旋转键数：
  22.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  497.04
• 氢给体数：
  18.0
• 氢受体数：
  28.0

反应信息

• 作为产物：
  描述：

  、 溶剂黄146 在 20 % Pd(OH)2/C 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 反应 48.0h， 以2 mg的产率得到6-aminohexyl 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside acetic acid salt
  参考文献：
  名称：

  Synthesis of a Forssman antigen derivative for use in a conjugate vaccine

  摘要：

  The total chemical synthesis of a Forssman antigen analog is described. The pentasaccharide contains a functionalized tether which should facilitate future conjugation with immunogenic proteins. We found that the total synthesis can be efficiently achieved by following a convergent 2+3 strategy, and using N-Troc protected GalNAc thioglycoside as a donor. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.09.015