N-[(2S,3R,4R,5S,6R)-5-((2S,3R,4R,5R,6R)-3-Acetylamino-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-2,4-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl]-acetamide

• 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)-5-((2S,3R,4R,5R,6R)-3-Acetylamino-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-2,4-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl]-acetamide
• 英文别名: GalNAc(b1-4)a-GlcNAc；N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• 化学式: C₁₆H₂₈N₂O₁₁
• 分子量: 424.405
• InChiKey: CDOJPCSDOXYJJF-FHKBVMEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.7
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  207
• 氢给体数：
  8
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  D-GlcNAc 、 4-硝基苯基-N-乙酰-beta-D-半乳胺 生成 N-acetylgalactosamine-β(1→4) N-acetylglucosamine 、 N-[(2S,3R,4R,5S,6R)-5-((2S,3R,4R,5R,6R)-3-Acetylamino-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-2,4-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl]-acetamide
  参考文献：
  名称：

  酶法合成2-acetamido-4-O-（2-acetamido-2-deoxy-β-D-galactopyranosyl）-2-deoxy-D-pyranypyranose and 2-acetamido-6-O-（2-acetamido-2-米曲霉的β-N-乙酰基己糖胺酶催化的脱氧-β-D-吡喃半乳糖基）-2-脱氧-D-吡喃葡萄糖。

  摘要：

  DOI：

  10.1016/0008-6215(95)00303-7

文献信息

• Enzymatic synthesis of 2-acetamido-4-O-(2-acetamido-2-deoxy-β-d-galactopyranosyl)-2-deoxy-d-glucopyranose and 2-acetamido-6-O-(2-acetamido-2-deoxy-β-d-galactopyranosyl)-2-deoxy-d-glucopyranose catalysed by the β-N-acetylhexosaminidase from Aspergillus oryzae
  作者：Suddham Singh、David H.G. Crout、John Packwood

  DOI：10.1016/0008-6215(95)00303-7

  日期：1995.12