sodium;N-[(2R,3R,4R,5S,6R)-2-(3-aminopropoxy)-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-2-carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(sulfooxymethyl)oxan-3-yl]ethanimidate | 1426150-51-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: sodium;N-[(2R,3R,4R,5S,6R)-2-(3-aminopropoxy)-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-2-carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(sulfooxymethyl)oxan-3-yl]ethanimidate
• CAS: 1426150-51-7
• 化学式: C₂₈H₄₈N₃O₂₃S*Na
• 分子量: 849.751
• InChiKey: SKTRFQOQDUKPDX-IRCMBIRWSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -12.26
• 重原子数：
  56
• 可旋转键数：
  19
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  437
• 氢给体数：
  13
• 氢受体数：
  25

反应信息

• 作为产物：
  描述：

  3-azidopropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside 在 吡啶 、 甲醇 、 palladium 10% on activated carbon 、 氨 、 水 、 氢气 、 sodium methylate 、 silver trifluoromethanesulfonate 、 三氧化硫吡啶 、 对甲苯磺酸 、 溶剂黄146 、 三乙胺 、 1,1,3,3-四甲基脲 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 、 二甲基亚砜 、 乙腈 为溶剂， 反应 75.0h， 生成 sodium;N-[(2R,3R,4R,5S,6R)-2-(3-aminopropoxy)-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-2-carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(sulfooxymethyl)oxan-3-yl]ethanimidate
  参考文献：
  名称：

  Divergent Strategy for the Synthesis of α2-3-Linked Sialo-oligosaccharide Libraries Using a Neu5TFA-(α2-3)-Gal Building Block

  摘要：

  A novel Neu5TFA-(alpha 2-3)-Gal building block with removable protecting group at N5' was introduced and used in the divergent synthesis of a library of N-acetyl and N-glycolyl derivatives of oligosaccharides related to sialyl-(alpha 2-3)-N-acetyl-lactosamine and sialyl-(alpha 2-3)-N-acetyl-isolactosamine, with or without sulfate at O6 of glucosamine residue.

  DOI：

  10.1055/s-0032-1317961

文献信息

• Divergent Strategy for the Synthesis of α2-3-Linked Sialo-oligosaccharide Libraries Using a Neu5TFA-(α2-3)-Gal Building Block
  作者：Nicolai Bovin、Galina Pazynina、Tatiana Tyrtysh、Vitaly Nasonov、Ivan Belyanchikov、Alexander Paramonov、Nelly Malysheva、Alexander Zinin、Leonid Kononov

  DOI：10.1055/s-0032-1317961

  日期：——

  A novel Neu5TFA-(alpha 2-3)-Gal building block with removable protecting group at N5' was introduced and used in the divergent synthesis of a library of N-acetyl and N-glycolyl derivatives of oligosaccharides related to sialyl-(alpha 2-3)-N-acetyl-lactosamine and sialyl-(alpha 2-3)-N-acetyl-isolactosamine, with or without sulfate at O6 of glucosamine residue.