6-O-allyl-5-[2-(5,6-O-metylidene-2,3-di-O-allyl-L-ascorbyl)-ethyl-2,3,4-tri-O-allyl-β-D-glucopyranos-6-oxy]-methyl-2,2,7,8-tetramethyl-chroman-6-ol | 1276099-81-0

• 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: 6-O-allyl-5-[2-(5,6-O-metylidene-2,3-di-O-allyl-L-ascorbyl)-ethyl-2,3,4-tri-O-allyl-β-D-glucopyranos-6-oxy]-methyl-2,2,7,8-tetramethyl-chroman-6-ol
• CAS: 1276099-81-0
• 化学式: C₄₇H₆₄O₁₄
• 分子量: 853.017
• InChiKey: HFLGQRGLSUFNGN-JWRMIBODSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.62
• 重原子数：
  61.0
• 可旋转键数：
  27.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  137.06
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为产物：
  描述：

  维生素 C 在 sodium hydride 、 对甲苯磺酸 作用下， 以 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 6-O-allyl-5-[2-(5,6-O-metylidene-2,3-di-O-allyl-L-ascorbyl)-ethyl-2,3,4-tri-O-allyl-β-D-glucopyranos-6-oxy]-methyl-2,2,7,8-tetramethyl-chroman-6-ol 、 6-O-allyl-5-[2-(5,6-O-metylidene-2,3-di-O-allyl-L-ascorbyl)-ethyl-2,3,4-tri-O-allyl-β-D-glucopyranos-6-oxy]-methyl-2,2,7,8-tetramethyl-chroman-6-ol
  参考文献：
  名称：

  Transformations of chromanol and tocopherol and synthesis of ascorbate conjugates

  摘要：

  alpha-Tocopherol and as a model compound pentamethylchromanol could be transferred into simple and more complex 5a-ether derivatives including galactopyranose as well as ascorbic acid conjugates. Following elaboration of a glucopyranoside spacer element this could be used for tethering the vitamin E and the vitamin C components to give novel conjugates for subsequent biostudies concerning their proposed synergism of antioxidant properties in tissues. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.12.066