(2S,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-(3-aminopropoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | 1315248-88-4

• 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)-2-[(2R,3R,4S,5S,6R)-2-(3-aminopropoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• CAS: 1315248-88-4
• 化学式: C₂₀H₃₆N₂O₁₅
• 分子量: 544.51
• InChiKey: NGPDYWZCXZDAFZ-KBFZJZKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8
• 重原子数：
  37
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  291
• 氢给体数：
  11
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  在 甲醇 、 sodium azide 、 palladium 10% on activated carbon 、 氨 、 水 、 氢气 、 sodium methylate 、 三乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 水 、 二甲基亚砜 为溶剂， 反应 170.0h， 生成 (2S,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-(3-aminopropoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  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.