9-[(2R,3R,4R,5S,6R)-3-Acetylamino-4-hydroxy-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylsulfanyl)-tetrahydro-pyran-2-yloxy]-nonanoic acid methyl ester | 219971-92-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 9-[(2R,3R,4R,5S,6R)-3-Acetylamino-4-hydroxy-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylsulfanyl)-tetrahydro-pyran-2-yloxy]-nonanoic acid methyl ester
• CAS: 219971-92-3
• 化学式: C₂₄H₄₃NO₁₂S
• 分子量: 569.671
• InChiKey: UEWRKPMQYPGEMS-CYABAIRNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.61
• 重原子数：
  38.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  204.47
• 氢给体数：
  7.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  9-[(2R,3R,4R,5S,6R)-3-Acetylamino-4-hydroxy-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylsulfanyl)-tetrahydro-pyran-2-yloxy]-nonanoic acid methyl ester 、 alkaline earth salt of/the/ methylsulfuric acid 在 苯磺酰胺 、 fucosyltransferase 、 sodium cacodylate buffer 、 甘油 、 manganese(ll) chloride 作用下， 反应 72.0h， 生成
  参考文献：
  名称：

  βGal(1→S-4)βGlcNAc-OR: A galactosidase-stable substrate for α(1→3)fucosyltransferase

  摘要：

  1'-4 Thio-N-acetyllactosamine was chemically synthesized as a galactosidase-stable substrate for alpha(1-->3)fucosyltransferase. The product of enzymatic fucose addition was confirmed to be the thio-Le X analog. (C) 1998 Elsevier Science Ltd. Air rights reserved.

  DOI：

  10.1016/s0960-894x(98)00552-6
• 作为产物：
  描述：

  8-Methoxycarbonyloctyl 2-acetamido-2-deoxy-β-D-galactopyranoside 在 吡啶 、 甲醇 、 sodium methylate 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 9-[(2R,3R,4R,5S,6R)-3-Acetylamino-4-hydroxy-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylsulfanyl)-tetrahydro-pyran-2-yloxy]-nonanoic acid methyl ester
  参考文献：
  名称：

  βGal(1→S-4)βGlcNAc-OR: A galactosidase-stable substrate for α(1→3)fucosyltransferase

  摘要：

  1'-4 Thio-N-acetyllactosamine was chemically synthesized as a galactosidase-stable substrate for alpha(1-->3)fucosyltransferase. The product of enzymatic fucose addition was confirmed to be the thio-Le X analog. (C) 1998 Elsevier Science Ltd. Air rights reserved.

  DOI：

  10.1016/s0960-894x(98)00552-6