N4-<(5-acetamido-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranulosonic acid)-(2,6)-β-D-galactopyranosyl-(1,4)-2-acetamido-2-deoxy-β-D-glucopyranosyl>-N2-<(allyloxy)carbonyl-L-phenylalanyl>-L-asparaginyl-L-seryl-L-threonyl-L-isoleucine | 129943-00-6

• 分子结构分类: 有机化合物
• 英文名称: N4-<(5-acetamido-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranulosonic acid)-(2,6)-β-D-galactopyranosyl-(1,4)-2-acetamido-2-deoxy-β-D-glucopyranosyl>-N2-<(allyloxy)carbonyl-L-phenylalanyl>-L-asparaginyl-L-seryl-L-threonyl-L-isoleucine
• 英文别名: N⁴-<(5-acetamido-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranulosonic acid)-(2,6)-β-D-galactopyranosyl-(1,4)-2-acetamido-2-deoxy-β-D-glucopyranosyl>-N²-<(allyloxy)carbonyl-L-phenylalanyl>-L-asparaginyl-L-seryl-L-threonyl-L-isoleucine；N⁴-[(5-acetamido-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranulosonic acid)-(2,6)-β-D-galactopyranosyl-(1,4)-2-acetamido-2-deoxy-β-D-glucopyranosyl]-N²-[(allyloxy)carbonyl-L-phenylalanyl]-L-asparaginyl-L-seryl-L-threonyl-L-isoleucine
• CAS: 129943-00-6
• 化学式: C₅₇H₈₈N₈O₂₉
• 分子量: 1349.36
• InChiKey: VHEYNSCBZNXZHY-RQMNCAGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.82
• 重原子数：
  94.0
• 可旋转键数：
  33.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  585.31
• 氢给体数：
  21.0
• 氢受体数：
  27.0

反应信息

• 作为产物：
  描述：

  CMP-N-acetylneuraminic acid 、 N⁴-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-N²-<<(allyloxy)carbonyl>-L-phenylalanyl>-L-asparaginyl-L-seryl-L-threonyl-L-isoleucine 、 sodium,[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] phosphate 在 sodium hydroxide 、 sodium azide 、 sodium cacodylate 、 manganese(ll) chloride 作用下， 生成 N4-<(5-acetamido-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranulosonic acid)-(2,6)-β-D-galactopyranosyl-(1,4)-2-acetamido-2-deoxy-β-D-glucopyranosyl>-N2-<(allyloxy)carbonyl-L-phenylalanyl>-L-asparaginyl-L-seryl-L-threonyl-L-isoleucine
  参考文献：
  名称：

  High-efficiency synthesis of sialyloligosaccharides and sialoglycopeptides

  摘要：

  DOI：

  10.1021/ja00181a037