Acetic acid (2S,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[5-acetyl-3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-tetrahydro-pyran-3-yl ester | 435333-70-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Acetic acid (2S,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[5-acetyl-3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-tetrahydro-pyran-3-yl ester
• 英文别名: [(2R,3S,4S,5R,6S)-6-[5-acetyl-3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
• CAS: 435333-70-3
• 化学式: C₃₅H₃₄N₂O₁₂S
• 分子量: 706.727
• InChiKey: PBQWWPONFVLIMN-ZTFJPRAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  50
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  223
• 氢给体数：
  1
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  Acetic acid (2S,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[5-acetyl-3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-tetrahydro-pyran-3-yl ester 在 氨 作用下， 以 甲醇 为溶剂， 以80%的产率得到5-Acetyl-4-(4-hydroxy-3-methoxy-phenyl)-6-phenyl-2-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylsulfanyl)-nicotinonitrile
  参考文献：
  名称：

  Synthesis of thiopyridines and their hydrogenated thioglycosides via piperidinium salts

  摘要：

  The synthesis of several new thiopyridines and their hydrogenated thioglycosides via the reaction of piperidinium salts of dihydropyridinethiones with alpha-halogeno sugars is described. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(01)01242-x
• 作为产物：
  描述：

  2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enethioamide 在 哌啶 、 氢氧化钾 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 6.0h， 生成 Acetic acid (2S,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[5-acetyl-3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Synthesis of thiopyridines and their hydrogenated thioglycosides via piperidinium salts

  摘要：

  The synthesis of several new thiopyridines and their hydrogenated thioglycosides via the reaction of piperidinium salts of dihydropyridinethiones with alpha-halogeno sugars is described. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(01)01242-x