Acetic acid (2R,3S,4R,5R,6S)-2-acetoxymethyl-5-acetylamino-6-((2S,3R,4S,5R,6S)-2-allyloxy-6-carbamoyl-4,5-dihydroxy-tetrahydro-pyran-3-yloxy)-3-((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yl ester | 187939-12-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Acetic acid (2R,3S,4R,5R,6S)-2-acetoxymethyl-5-acetylamino-6-((2S,3R,4S,5R,6S)-2-allyloxy-6-carbamoyl-4,5-dihydroxy-tetrahydro-pyran-3-yloxy)-3-((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yl ester
• CAS: 187939-12-4
• 化学式: C₃₅H₅₀N₂O₂₂
• 分子量: 850.782
• InChiKey: UVEWXKWHZCMCOW-IIYCECLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  59.0
• 可旋转键数：
  17.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  325.83
• 氢给体数：
  4.0
• 氢受体数：
  22.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (2R,3S,4R,5R,6S)-2-acetoxymethyl-5-acetylamino-6-((2S,3R,4S,5R,6S)-2-allyloxy-6-carbamoyl-4,5-dihydroxy-tetrahydro-pyran-3-yloxy)-3-((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yl ester 在 吡啶 、 (1,5-cyclooctadiene)bis(methyldiphenylphosphine) iridium hexafluorophosphate 、 氢气 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 7.75h， 生成
  参考文献：
  名称：

  A chemoenzymatic approach towards moenomycin structural analogues

  摘要：

  The trisaccharide moenomycin analogue 1c has been synthesized. One starting material was N-acetyllactosamine obtained by an enzyme-catalyzed transglycosylation. 1c differs from moenomycin degradation product 1a only in two positions of unit C. In contrast to 1a the synthetic 1c is antibiotically inactive. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(96)01116-7
• 作为产物：
  描述：

  在 溶剂黄146 作用下， 反应 4.0h， 以86%的产率得到Acetic acid (2R,3S,4R,5R,6S)-2-acetoxymethyl-5-acetylamino-6-((2S,3R,4S,5R,6S)-2-allyloxy-6-carbamoyl-4,5-dihydroxy-tetrahydro-pyran-3-yloxy)-3-((2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yl ester
  参考文献：
  名称：

  A chemoenzymatic approach towards moenomycin structural analogues

  摘要：

  The trisaccharide moenomycin analogue 1c has been synthesized. One starting material was N-acetyllactosamine obtained by an enzyme-catalyzed transglycosylation. 1c differs from moenomycin degradation product 1a only in two positions of unit C. In contrast to 1a the synthetic 1c is antibiotically inactive. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(96)01116-7