5-thioacetylpentyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-β-Dglucopyranoside | 1239318-69-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-thioacetylpentyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-β-Dglucopyranoside
• CAS: 1239318-69-4
• 化学式: C₁₈H₃₃NO₇S
• 分子量: 407.529
• InChiKey: GMPZUNQSBLXDFF-ZQOQDGPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.57
• 重原子数：
  27.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  125.32
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  5-thioacetylpentyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-β-Dglucopyranoside 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以98%的产率得到5-sulfanylpentanyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-β-Dglucopyranoside
  参考文献：
  名称：

  Molecular Analysis of Carbohydrate−Antibody Interactions: Case Study Using a Bacillus anthracis Tetrasaccharide

  摘要：

  The process for selecting potent and effective carbohydrate antigens is not well-established. A combination of synthetic glycan microarray screening, surface plasmon resonance analysis, and saturation transfer difference NMR spectroscopy was used to dissect the antibody-binding surface of a carbohydrate antigen, revealing crucial binding elements with atomic-level detail. This analysis takes the first step toward uncovering the rules for structure-based design of carbohydrate antigens.

  DOI：

  10.1021/ja104027w
• 作为产物：
  描述：

  pent-4-enyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-β-D-glucopyranoside 、 硫代乙酸 在 偶氮二异丁腈 作用下， 以 1,4-二氧六环 为溶剂， 以68%的产率得到5-thioacetylpentyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-β-Dglucopyranoside
  参考文献：
  名称：

  Molecular Analysis of Carbohydrate−Antibody Interactions: Case Study Using a Bacillus anthracis Tetrasaccharide

  摘要：

  The process for selecting potent and effective carbohydrate antigens is not well-established. A combination of synthetic glycan microarray screening, surface plasmon resonance analysis, and saturation transfer difference NMR spectroscopy was used to dissect the antibody-binding surface of a carbohydrate antigen, revealing crucial binding elements with atomic-level detail. This analysis takes the first step toward uncovering the rules for structure-based design of carbohydrate antigens.

  DOI：

  10.1021/ja104027w