N-[(2S,3R,4R,5R,6R)-5-Hydroxy-6-hydroxymethyl-2-octyloxy-4-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl]-acetamide | 607353-49-1

• 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,5R,6R)-5-Hydroxy-6-hydroxymethyl-2-octyloxy-4-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl]-acetamide
• 英文别名: Octyl 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranoside；N-[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-octoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• CAS: 607353-49-1
• 化学式: C₂₂H₄₁NO₁₁
• 分子量: 495.568
• InChiKey: LAVIBJFXURBICK-FFIPVLBGSA-N

物化性质

• 沸点：
  757.9±60.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  34
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  187
• 氢给体数：
  7
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  N-[(2S,3R,4R,5R,6R)-5-Hydroxy-6-hydroxymethyl-2-octyloxy-4-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl]-acetamide 、 alkaline earth salt of/the/ methylsulfuric acid 在 rat recombinant 2,3-α-(O)-sialyltransferase triton 、 calf intestine alkaline phophatase 、 Na cacodilate 作用下， 反应 16.0h， 以100%的产率得到sodium;N-[(2R,3R,4S,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-octoxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-carboxy-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]ethanimidate
  参考文献：
  名称：

  化学酶法合成唾液酸化寡糖，用于多唾液酸转移酶测定

  摘要：

  通过化学酶法合成了一系列唾液酸化的β-d-Gal-（1→3）-α-d-GalNAc-辛基含寡糖，代表在粘蛋白型复合O-聚糖上发现的寡糖，用于近期的动力学表征克隆的聚唾液酸转移酶。的酶促掺入Ñ -acetylneuraminic氨酸（唾液酸）到合成受体是由2,3-（完成Ñ）和（ø）-sialyltransferases，得到目标化合物6 - 10在实际的产率。

  DOI：

  10.1016/s0040-4039(03)01509-0

文献信息

• Chemoenzymatic synthesis of sialylated oligosaccharides for their evaluation in a polysialyltransferase assay
  作者：Prabal Sengupta、Anup Kumar Misra、Misa Suzuki、Minoru Fukuda、Ole Hindsgaul

  DOI：10.1016/s0040-4039(03)01509-0

  日期：2003.8

  A series of sialylated β-d-Gal-(1→3)-α-d-GalNAc-octyl containing oligosaccharides representative of those found on mucin type complex O-glycans were synthesized by a chemoenzymatic approach for use in the kinetic characterization of recently cloned polysialyltransferases. Enzymatic incorporation of N-acetylneuraminic acid (sialic acid) into the synthetic acceptors was accomplished by 2,3-(N) and (

  通过化学酶法合成了一系列唾液酸化的β-d-Gal-（1→3）-α-d-GalNAc-辛基含寡糖，代表在粘蛋白型复合O-聚糖上发现的寡糖，用于近期的动力学表征克隆的聚唾液酸转移酶。的酶促掺入Ñ -acetylneuraminic氨酸（唾液酸）到合成受体是由2,3-（完成Ñ）和（ø）-sialyltransferases，得到目标化合物6 - 10在实际的产率。