[(2S,3R,4R,5S,6R)-6-[[(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl] acetate | 207917-30-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2S,3R,4R,5S,6R)-6-[[(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl] acetate
• CAS: 207917-30-4
• 化学式: C₆₆H₇₆N₄O₁₆
• 分子量: 1181.35
• InChiKey: WLKWQUZEPBYCGR-FPQIPQFVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  86
• 可旋转键数：
  30
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  190
• 氢给体数：
  1
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  [(2S,3R,4R,5S,6R)-6-[[(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl] acetate 在 硫化氢 作用下， 以 吡啶 、 水 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  Synthesis of lipooligosaccharides related to nodulation factors ofRhizobium sp. NGR234

  摘要：

  Trisaccharide analogs of natural nodulation factors from Rhizobium sp. NGR234, namely, 2-acetamido-2-deoxy-4-O-(2-deoxy-2-hexadecanamido-beta-D-glucopyranosyl)-6-O- (2-O-methyl-alpha-L-fucopyranosyl)-D-glucopyranose and its derivatives containing a 4-O-acetyl or a 3-O-sulfo group at the L-fucose residue, were synthesized. The oligosaccharides synthesized were shown to possess biological activity.

  DOI：

  10.1007/bf02495661
• 作为产物：
  描述：

  2-[(2R,3R,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2,4-bis(phenylmethoxy)oxan-3-yl]isoindole-1,3-dione 在 4-二甲氨基吡啶 、 4 Angstroem MS 、 三氟化硼乙醚 、 四丁基溴化铵 、 对甲苯磺酸 、 一水合肼 、 copper(ll) bromide 作用下， 以 吡啶 、 丙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 108.0h， 生成 [(2S,3R,4R,5S,6R)-6-[[(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl] acetate
  参考文献：
  名称：

  Synthesis of lipooligosaccharides related to nodulation factors ofRhizobium sp. NGR234

  摘要：

  Trisaccharide analogs of natural nodulation factors from Rhizobium sp. NGR234, namely, 2-acetamido-2-deoxy-4-O-(2-deoxy-2-hexadecanamido-beta-D-glucopyranosyl)-6-O- (2-O-methyl-alpha-L-fucopyranosyl)-D-glucopyranose and its derivatives containing a 4-O-acetyl or a 3-O-sulfo group at the L-fucose residue, were synthesized. The oligosaccharides synthesized were shown to possess biological activity.

  DOI：

  10.1007/bf02495661