N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-((3aR,5R,6S,7R,7aR)-5-hydroxymethyl-7-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-6-yloxy)-tetrahydro-pyran-3-yl]-acetamide | 735328-38-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-((3aR,5R,6S,7R,7aR)-5-hydroxymethyl-7-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-6-yloxy)-tetrahydro-pyran-3-yl]-acetamide
• 英文别名: N-[(2S,3R,4R,5S,6R)-2-[[(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-7-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• CAS: 735328-38-8
• 化学式: C₁₇H₂₈N₂O₁₀
• 分子量: 420.417
• InChiKey: FMUWBVNEVDBJKZ-JXHPCIEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  169
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-((3aR,5R,6S,7R,7aR)-5-hydroxymethyl-7-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-6-yloxy)-tetrahydro-pyran-3-yl]-acetamide 在 chitinase of Bacillus Sp 作用下， 以 various solvent(s) 为溶剂， 反应 14.0h， 以67%的产率得到N-[(2R,3R,4R,5S,6R)-5-((2S,3R,4R,5S,6R)-3-Acetylamino-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-2-hydroxy-6-hydroxymethyl-4-methoxy-tetrahydro-pyran-3-yl]-acetamide
  参考文献：
  名称：

  Enzymatic Synthesis of 3-O-Methylated Chitin Oligomers from New Derivatives of a Chitobiose Oxazoline

  摘要：

  一种壳寡糖噁唑啉的3-O-和/或3′-O-甲基化衍生物作为新的底物单体被合成出来，并经过甲壳素酶催化，首次通过酶促低聚合成了3-O-甲基化甲壳素低聚物。

  DOI：

  10.1246/cl.2004.698
• 作为产物：
  描述：

  3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-D-glucopyranosyl trichloroacetimidate 生成 N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-((3aR,5R,6S,7R,7aR)-5-hydroxymethyl-7-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-6-yloxy)-tetrahydro-pyran-3-yl]-acetamide
  参考文献：
  名称：

  Enzymatic Synthesis of 3-O-Methylated Chitin Oligomers from New Derivatives of a Chitobiose Oxazoline

  摘要：

  一种壳寡糖噁唑啉的3-O-和/或3′-O-甲基化衍生物作为新的底物单体被合成出来，并经过甲壳素酶催化，首次通过酶促低聚合成了3-O-甲基化甲壳素低聚物。

  DOI：

  10.1246/cl.2004.698

文献信息

• Enzymatic Synthesis of 3-<i>O</i>-Methylated Chitin Oligomers from New Derivatives of a Chitobiose Oxazoline
  作者：Junji Sakamoto、Shiro Kobayashi

  DOI：10.1246/cl.2004.698

  日期：2004.6

  Regiospecifically 3-O- and/or 3′-O-methylated derivatives of a chitobiose oxazoline have been synthesized as new substrate monomers and subjected to a chitinase catalysis, leading to the first synthesis of 3-O-methylated chitin oligomers via enzymatic oligomerization.

  一种壳寡糖噁唑啉的3-O-和/或3′-O-甲基化衍生物作为新的底物单体被合成出来，并经过甲壳素酶催化，首次通过酶促低聚合成了3-O-甲基化甲壳素低聚物。