2,5-dihydroxyheptane 2-O-β-D-glucopyranoside | 1421521-11-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,5-dihydroxyheptane 2-O-β-D-glucopyranoside
• CAS: 1421521-11-0
• 化学式: C₁₃H₂₆O₇
• 分子量: 294.345
• InChiKey: KCESVQIRZRLONC-KCHZHYDXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.26
• 重原子数：
  20.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  119.61
• 氢给体数：
  5.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2,5-heptanediol 2-O-β-D-glucopyranoside 6′-O-(2″S,3″R)-2″-ethyl-2″,3″-dihydroxybutyrate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以1.8 mg的产率得到2,5-dihydroxyheptane 2-O-β-D-glucopyranoside
  参考文献：
  名称：

  Microtropins A–I: 6′-O-(2″S,3″R)-2″-Ethyl-2″,3″-dihydroxybutyrates of aliphatic alcohol β-d-glucopyranosides from the branches of Microtropis japonica

  摘要：

  From the branches of Microtropis japonica (Celastraceae), nine aliphatic glucosides, named microtropins A-I, were isolated. The 6-position of glucose was esterified with (2S,3R)-2-ethyl-2,3-dihydroxybutyric acid. Microtropins A-D contained a rare natured product nitrile functional group in their aglycones. The absolute structures of the (25,3R)-2-ethyl-2,3-dihydroxybutyric acid moiety and aglycone of microtropin A were determined by an X-ray crystallographic method. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2012.11.007