cyclo-{->6)-α-D-Glcp-(1->3)-α-D-Glcp-(1->6)-α-D-Glcp-(1->3)-α-D-Glcp-(1->} | 159640-28-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cyclo-{->6)-α-D-Glcp-(1->3)-α-D-Glcp-(1->6)-α-D-Glcp-(1->3)-α-D-Glcp-(1->}
• 英文别名: cycloalternan；cyclo-(->6)-α-D-glucopyranosyl-(1->3)-α-D-glucopyranosyl-(1->6)-α-D-glucopyranosyl-(1->3)-α-D-glucopyranosyl-(1->)；Cyclotetraglucose；(1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol
• CAS: 159640-28-5
• 化学式: C₂₄H₄₀O₂₀
• 分子量: 648.57
• InChiKey: NIFXVRWMHZPIFE-KCLHJWPFSA-N

物化性质

• 沸点：
  1090.5±65.0 °C(Predicted)
• 密度：
  1.656±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -7.5
• 重原子数：
  44
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  317
• 氢给体数：
  12
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  cyclo-{->6)-α-D-Glcp-(1->3)-α-D-Glcp-(1->6)-α-D-Glcp-(1->3)-α-D-Glcp-(1->} 在 2,2,6,6-tetramethyl-piperidine-N-oxyl 、 sodium hypochlorite 、 sodium bromide 作用下， 以 水 为溶剂， 以86%的产率得到cyclo-{->6)-α-D-Glcp-(1->3)-α-D-GlcpA-(1->6)-α-D-Glcp-(1->3)-α-D-GlcpA-(1->}
  参考文献：
  名称：

  Oxidation and metal-ion affinities of a novel cyclic tetrasaccharide

  摘要：

  The cyclic tetrasaccharide, cyclo-{--> 6)-alpha-D-Glcp-(1 --> 3)-alpha-D-Glcp-(1 --> 6)-alpha-D-Glcp-(1 --> 3)-alpha-D-Glcp-(1 -->}, was oxidized in high yield to a dicarboxylic acid, cyclo-{--> 6)-alpha-D-Glcp-(1 --> 3)-alpha-D-GIcpA-(1 --> 6)-alpha-D-Glcp-(1 --> 3)-alpha-D-Glcp A-(1 -->}. The parent and oxidized compound were then screened for the ability to form stable complexes with 20 metal cations. Ion-exchange thin-layer chromatography was utilized to survey binding in aqueous and 50% methanolic solutions. The screening identified Pb2+, Fe2+ and Fe3+ as forming strong metal chelates with the oxidized cyclic tetrasaccharide. The stoichiometry of the oxidized cyclic tetrasaccharide and Pb2+ complex was determined to be 1:1 using aqueous gel-permeation chromatography. Perturbations between the free and complexed structure were examined using NMR spectroscopy. Molecular simulations were used to identify a probable structure of oxidized cyclic tetrasaccharide complexed with Pb2+. Published by Elsevier Ltd.

  DOI：

  10.1016/j.carres.2003.07.002
• 作为产物：
  描述：

  麦芽糖 在 Bacillus globisporus C₁₁ isomaltosyl transferase 、 Bacillus globisporus C11 1,6-α-glucosyltransferase 作用下， 以 acetate buffer 为溶剂， 反应 48.0h， 以2.9%的产率得到cyclo-{->6)-α-D-Glcp-(1->3)-α-D-Glcp-(1->6)-α-D-Glcp-(1->3)-α-D-Glcp-(1->}
  参考文献：