(2R,3R,4S,5R,6R)-2-((1-(((R)-6-acetoxy-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methoxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate | 1218994-75-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (2R,3R,4S,5R,6R)-2-((1-(((R)-6-acetoxy-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methoxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
• CAS: 1218994-75-2
• 化学式: C₄₈H₇₃N₃O₁₃
• 分子量: 900.12
• InChiKey: RMJVFSYSMGZICT-BUFYPKEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.99
• 重原子数：
  64.0
• 可旋转键数：
  23.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  189.9
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  (2R,3R,4S,5R,6R)-2-((1-(((R)-6-acetoxy-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methoxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以83%的产率得到
  参考文献：
  名称：

  Synthesis and antioxidant properties of novel α-tocopherol glycoconjugates

  摘要：

  Glycoconjugates of alpha-tocopherol (1), synthesized using click chemistry between alpha-tocopherol-azide and glyco-alkynes are solids, have enhanced water solubility and exhibit radical-scavenging activities comparable to 1, as determined by DPPH and lipid peroxidation assay methods. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.12.078
• 作为产物：
  描述：

  [(2R)-5-(azidomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate 、 2-炔丙基-四-O-乙酰基-β-D-吡喃葡萄糖苷 在 copper(ll) sulfate pentahydrate 、 (+)-sodium-L-ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 以95%的产率得到(2R,3R,4S,5R,6R)-2-((1-(((R)-6-acetoxy-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methoxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  参考文献：
  名称：

  Synthesis and antioxidant properties of novel α-tocopherol glycoconjugates

  摘要：

  Glycoconjugates of alpha-tocopherol (1), synthesized using click chemistry between alpha-tocopherol-azide and glyco-alkynes are solids, have enhanced water solubility and exhibit radical-scavenging activities comparable to 1, as determined by DPPH and lipid peroxidation assay methods. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.12.078