1,2-[2',6'-di-O-benzyl-3-O-(3'',4'',5'',7''-tetra-O-methyl-1''-deoxy-1''-ethylsulfonato-α-D-gluco-hept-2''-ulopyranosyl)-β-D-galactopyranosyloxy]-(2,3,4-tri-O-benzyl-α-L-fucopyranosyloxy)ethane | 286860-94-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,2-[2',6'-di-O-benzyl-3-O-(3'',4'',5'',7''-tetra-O-methyl-1''-deoxy-1''-ethylsulfonato-α-D-gluco-hept-2''-ulopyranosyl)-β-D-galactopyranosyloxy]-(2,3,4-tri-O-benzyl-α-L-fucopyranosyloxy)ethane
• 英文别名: ethyl [(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[2-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyethoxy]-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanesulfonate
• CAS: 286860-94-4
• 化学式: C₆₂H₈₀O₁₉S
• 分子量: 1161.37
• InChiKey: YTODIRCFHGUCLK-XVFZPWGVSA-N

物化性质

• 沸点：
  1071.2±65.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  82
• 可旋转键数：
  32
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  210
• 氢给体数：
  1
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  1,2-[2',6'-di-O-benzyl-3-O-(3'',4'',5'',7''-tetra-O-methyl-1''-deoxy-1''-ethylsulfonato-α-D-gluco-hept-2''-ulopyranosyl)-β-D-galactopyranosyloxy]-(2,3,4-tri-O-benzyl-α-L-fucopyranosyloxy)ethane 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 49.0h， 生成 1,2-[3-O-(3,4,5,7-tetra-O-methyl-1''-deoxy-1''-tetrabutylammoniumsulfonato-α-D-gluco-hept-2''-ulopyranosyl)-β-D-galactopyranosyloxy]-(α-L-fucopyranosyloxy)ethane
  参考文献：
  名称：

  Sulfonic acid analogues of the sialyl Lewis X tetrasaccharide

  摘要：

  Sulfonomethyl mimics of 2-ulosonic acids were prepared by addition of the ethyl methanesulfonate carbanion on aldonolactone derivatives, and these were converted into new analogues of the sialyl Lewis X tetrasaccharide. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00564-9
• 作为产物：
  描述：

  1-deoxy-1-ethylsulfonato-3,4,5,7-tetra-O-methyl-α-D-gluco-hept-2-ulose 在 4 A molecular sieve 、 三氟化硼乙醚 、 三氟甲烷磺酸甲酯 作用下， 以 二氯甲烷 为溶剂， 反应 54.0h， 生成 1,2-[2',6'-di-O-benzyl-3-O-(3'',4'',5'',7''-tetra-O-methyl-1''-deoxy-1''-ethylsulfonato-α-D-gluco-hept-2''-ulopyranosyl)-β-D-galactopyranosyloxy]-(2,3,4-tri-O-benzyl-α-L-fucopyranosyloxy)ethane
  参考文献：
  名称：

  Sulfonic acid analogues of the sialyl Lewis X tetrasaccharide

  摘要：

  Sulfonomethyl mimics of 2-ulosonic acids were prepared by addition of the ethyl methanesulfonate carbanion on aldonolactone derivatives, and these were converted into new analogues of the sialyl Lewis X tetrasaccharide. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00564-9

文献信息

• Sulfonic acid analogues of the sialyl Lewis X tetrasaccharide
  作者：Anikó Borbás、Gabriella Szabovik、Zsuzsa Antal、Krisztina Fehér、Magda Csávás、László Szilágyi、Pál Herczegh、András Lipták

  DOI：10.1016/s0957-4166(99)00564-9

  日期：2000.2

  Sulfonomethyl mimics of 2-ulosonic acids were prepared by addition of the ethyl methanesulfonate carbanion on aldonolactone derivatives, and these were converted into new analogues of the sialyl Lewis X tetrasaccharide. (C) 2000 Elsevier Science Ltd. All rights reserved.