[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (2R,3R)-2-ethyl-4-[(1S,2R)-2-[[(1S,2S)-2-ethylcyclopropyl]methyl]cyclopropyl]-3-hydroxybutanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 糖脂
• 英文名称: [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (2R,3R)-2-ethyl-4-[(1S,2R)-2-[[(1S,2S)-2-ethylcyclopropyl]methyl]cyclopropyl]-3-hydroxybutanoate
• 化学式: C₂₇H₄₆O₁₃
• 分子量: 578.6
• InChiKey: YZORHVCFKYYENV-FVQPZWGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  40
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  216
• 氢给体数：
  8
• 氢受体数：
  13

文献信息

• METHOD AND COMPOSITIONS
  申请人：Bangor University

  公开号：US20140178434A1

  公开（公告）日：2014-06-26

  A method of preparing a compound of formula (III): (M) x -(S) y -(M′) z (III) wherein x is from 1 to 6, y is from 1 to 12, z is from 0 to 10, each M and each M′ is independently a mycolic acid residue including a β-hydroxy acid moiety and each S is a monosaccharide unit; the method comprising reacting one or more mycolic acids with one or more saccharide units wherein the hydroxyl group of each β-hydroxy acid moiety is protected prior to reaction with the one or more saccharide units.
• US9206213B2
  申请人：——

  公开号：US9206213B2

  公开（公告）日：2015-12-08