(2S,4S,5R,6R)-4-Acetoxy-5-acetylamino-2-[(2R,3S,4S,5R,6S)-2-benzoyloxymethyl-3,5-dihydroxy-6-(4-nitro-phenoxy)-tetrahydro-pyran-4-yloxy]-6-((1S,2R)-1,2,3-triacetoxy-propyl)-tetrahydro-pyran-2-carboxylic acid methyl ester | 337356-43-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,4S,5R,6R)-4-Acetoxy-5-acetylamino-2-[(2R,3S,4S,5R,6S)-2-benzoyloxymethyl-3,5-dihydroxy-6-(4-nitro-phenoxy)-tetrahydro-pyran-4-yloxy]-6-((1S,2R)-1,2,3-triacetoxy-propyl)-tetrahydro-pyran-2-carboxylic acid methyl ester
• CAS: 337356-43-1
• 化学式: C₃₉H₄₆N₂O₂₁
• 分子量: 878.795
• InChiKey: FOBXGZFCGQSDPH-AYLAGLCMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.18
• 重原子数：
  62.0
• 可旋转键数：
  17.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  307.42
• 氢给体数：
  3.0
• 氢受体数：
  21.0

反应信息

• 作为反应物：
  描述：

  (2S,4S,5R,6R)-4-Acetoxy-5-acetylamino-2-[(2R,3S,4S,5R,6S)-2-benzoyloxymethyl-3,5-dihydroxy-6-(4-nitro-phenoxy)-tetrahydro-pyran-4-yloxy]-6-((1S,2R)-1,2,3-triacetoxy-propyl)-tetrahydro-pyran-2-carboxylic acid methyl ester 在 甲醇 、 sodium hydroxide 、 sodium methylate 作用下， 反应 24.0h， 生成 Sodium; (2S,4S,5R,6R)-5-acetylamino-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-hydroxymethyl-6-(4-nitro-phenoxy)-tetrahydro-pyran-4-yloxy]-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylate
  参考文献：
  名称：

  Hydrolase and sialyltransferase activities of Trypanosoma cruzi trans -sialidase towards NeuAc-α-2,3-Gal-β- O -PNP

  摘要：

  NeuAc-alpha -2,3-Gal-beta -O-PNP has been synthesised and its ability to act as a substrate for the hydrolase and transferase activities of Trypanosoma cruzi trans-sialidase have been investigated. The turn-over of this compound shows marked differences from the behaviour of NeuAc-MU. In addition, distinct differences in the action of T. cruzi trans-sialidase and Clostridium perfringens neuraminidase on NeuAc-alpha -2,3-Gal-beta -O-PNP were apparent. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00611-9
• 作为产物：
  描述：

  2-Thiosialic acid methyl ester peracetate 在 甲醇 、 N-碘代丁二酰亚胺 、 三氟甲磺酸 、 3 A molecular sieve 、 sodium 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 4.67h， 生成 (2S,4S,5R,6R)-4-Acetoxy-5-acetylamino-2-[(2R,3S,4S,5R,6S)-2-benzoyloxymethyl-3,5-dihydroxy-6-(4-nitro-phenoxy)-tetrahydro-pyran-4-yloxy]-6-((1S,2R)-1,2,3-triacetoxy-propyl)-tetrahydro-pyran-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Hydrolase and sialyltransferase activities of Trypanosoma cruzi trans -sialidase towards NeuAc-α-2,3-Gal-β- O -PNP

  摘要：

  NeuAc-alpha -2,3-Gal-beta -O-PNP has been synthesised and its ability to act as a substrate for the hydrolase and transferase activities of Trypanosoma cruzi trans-sialidase have been investigated. The turn-over of this compound shows marked differences from the behaviour of NeuAc-MU. In addition, distinct differences in the action of T. cruzi trans-sialidase and Clostridium perfringens neuraminidase on NeuAc-alpha -2,3-Gal-beta -O-PNP were apparent. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00611-9