[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[6-[4-[4-[[4-[bis[4-oxo-4-[6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexylamino]butyl]amino]-4-oxobutyl]-(2-tetradecylhexadecanoyl)amino]butanoyl-[4-oxo-4-[6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexylamino]butyl]amino]butanoylamino]hexoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate | 1204700-99-1

• 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: [(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[6-[4-[4-[[4-[bis[4-oxo-4-[6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexylamino]butyl]amino]-4-oxobutyl]-(2-tetradecylhexadecanoyl)amino]butanoyl-[4-oxo-4-[6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexylamino]butyl]amino]butanoylamino]hexoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate
• CAS: 1204700-99-1
• 化学式: C₁₄₆H₂₇₉N₁₁O₆₃P₄
• 分子量: 3320.75
• InChiKey: ZUXXZDWUWMMUAM-FSCRLUNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  224
• 可旋转键数：
  123
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  1040
• 氢给体数：
  28
• 氢受体数：
  63

反应信息

• 作为产物：
  描述：

  2-十四烷基棕榈酸 、 4,4'-[[(1,1-dimethylethoxy)carbonyl]imino]bisbutanoic acid 、 4-[[4-hydroxy-4-[6-[(2R,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexylimino]butyl]amino]-N-[6-[(2R,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexyl]butanimidic acid 、 甲苯磺酸胆碱 在 氰基磷酸二乙酯 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 生成 [(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[6-[4-[4-[[4-[bis[4-oxo-4-[6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexylamino]butyl]amino]-4-oxobutyl]-(2-tetradecylhexadecanoyl)amino]butanoyl-[4-oxo-4-[6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexylamino]butyl]amino]butanoylamino]hexoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate
  参考文献：
  名称：

  Syntheses of Glycoclusters Containing a Phosphocholine Residue Related to a Glycosphingolipid from the Earthworm Pheretima hilgendorfi

  摘要：

  从蚯蚓Pheretima hilgendorfi中发现的一种两性糖神经酰胺相关联的三种类型的糖簇被成功合成。这些糖簇是从一个共同的先体制备而成，并且开发出了一种简便的方法来对糖簇进行合理设计。

  DOI：

  10.1248/cpb.57.1081