pent-4-enyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranosyl-(1->3)-α-L-rhamnopyranoside | 1206884-41-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: pent-4-enyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranosyl-(1->3)-α-L-rhamnopyranoside
• 英文别名: N-[(2R,3S,4S,5R,6S)-6-[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-pent-4-enoxyoxan-4-yl]oxy-4-hydroxy-5-methoxy-2-methyloxan-3-yl]-3-hydroxy-3-methylbutanamide
• CAS: 1206884-41-4
• 化学式: C₂₃H₄₁NO₁₀
• 分子量: 491.579
• InChiKey: PNOCWDMRDCGRTP-NZVFFEMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  156
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  pent-4-enyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranosyl-(1->3)-α-L-rhamnopyranoside 、 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75%的产率得到5-thioacetylpentyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranosyl-(1->3)-α-L-rhamnopyranoside
  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