[2-[[6-[[3-Acetamido-5-[[3-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-2-ethyl-6-(hydroxymethyl)oxan-4-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4-[[3,4-dihydroxy-5-(methoxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]methoxymethyl]-5-hydroxy-6-methyloxan-3-yl] acetate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2-[[6-[[3-Acetamido-5-[[3-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-2-ethyl-6-(hydroxymethyl)oxan-4-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4-[[3,4-dihydroxy-5-(methoxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]methoxymethyl]-5-hydroxy-6-methyloxan-3-yl] acetate
• 英文别名: [2-[[6-[[3-acetamido-5-[[3-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-2-ethyl-6-(hydroxymethyl)oxan-4-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4-[[3,4-dihydroxy-5-(methoxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]methoxymethyl]-5-hydroxy-6-methyloxan-3-yl] acetate
• 化学式: C₆₁H₁₀₆N₂O₃₃
• 分子量: 1395.5
• InChiKey: BGLLGUQWUWZJGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.8
• 重原子数：
  96
• 可旋转键数：
  32
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  528
• 氢给体数：
  18
• 氢受体数：
  33

文献信息

• CONJUGATION PROCESS OF BACTERIAL POLYSACCHARIDES TO CARRIER PROTEINS
  申请人：GLAXOSMITHKLINE BIOLOGICALS S.A.

  公开号：US20140186389A1

  公开（公告）日：2014-07-03

  Process for conjugation of bacterial saccharides including Streptococcus pneumoniae and Haemophilus influenzae saccharides by reductive amination are provided herein.