Acetic acid (2R,3R,4S,5R,6S)-3,5-diacetoxy-2-acetoxymethyl-6-((2R,3R,4S,5R)-2-benzyloxy-4,5-dihydroxy-tetrahydro-pyran-3-yloxy)-tetrahydro-pyran-4-yl ester | 144683-71-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Acetic acid (2R,3R,4S,5R,6S)-3,5-diacetoxy-2-acetoxymethyl-6-((2R,3R,4S,5R)-2-benzyloxy-4,5-dihydroxy-tetrahydro-pyran-3-yloxy)-tetrahydro-pyran-4-yl ester
• CAS: 144683-71-6
• 化学式: C₂₆H₃₄O₁₄
• 分子量: 570.548
• InChiKey: VHCFCEXCXSEGTQ-LOWKZAPPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.25
• 重原子数：
  40.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  182.58
• 氢给体数：
  2.0
• 氢受体数：
  14.0

反应信息

• 作为产物：
  描述：

  1-bromo-2,3,4,6-tetra-O-acetyl-D-galactopyranose 、 苄基-beta-D-木糖苷 在 氰化汞 、 mercury dibromide 作用下， 生成 Acetic acid (2R,3S,4S,5R,6R)-3,5-diacetoxy-2-acetoxymethyl-6-((3R,4R,5R,6R)-6-benzyloxy-4,5-dihydroxy-tetrahydro-pyran-3-yloxy)-tetrahydro-pyran-4-yl ester 、 Acetic acid (2S,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-((2R,3R,4S,5R)-2-benzyloxy-3,5-dihydroxy-tetrahydro-pyran-4-yloxy)-tetrahydro-pyran-3-yl ester 、 Acetic acid (2R,3R,4S,5R,6S)-3,5-diacetoxy-2-acetoxymethyl-6-((2R,3R,4S,5R)-2-benzyloxy-4,5-dihydroxy-tetrahydro-pyran-3-yloxy)-tetrahydro-pyran-4-yl ester
  参考文献：
  名称：

  Controlling yield and regioselectivity in the enzymatic synthesis of β-D-galactopyranosyl-β-D-xylopyranosides

  摘要：

  Yield and regioselectivity of the galactosidation of beta-D-xylopyranosides catalysed by the beta-galactosidase from E. coli can be modulated by the nature of the aglyconic moiety of the xylopyranosides.

  DOI：

  10.1016/s0040-4039(00)79118-0