N-acetyl-N-phenyl-N'-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thiourea | 71454-64-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-acetyl-N-phenyl-N'-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thiourea
• 英文别名: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[acetyl(phenyl)carbamothioyl]amino]oxan-2-yl]methyl acetate
• CAS: 71454-64-3
• 化学式: C₂₃H₂₈N₂O₁₀S
• 分子量: 524.549
• InChiKey: QQJPIVCZGQFUDR-QMCAAQAGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  179
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  N-acetyl-N-phenyl-N'-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thiourea 、 mercury(II) oxide 以 acetonitrile 、 H₂O 为溶剂， 以72%的产率得到mercury(II) N-acetyl-N-phenyl-N'-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)carbamimidothioate
  参考文献：
  名称：

  Synthesis and characterization of mercury(II)–sugar thioureas complexes

  摘要：

  The synthesis of a novel class of mercury(II) complexes with sugar-derived bidentade isothioureido ligands, by treatment of N-acylated thioureas with an excess of yellow mercury(II) oxide in aqueous acetonitrile is reported. The 1:2 coordination stoichiometry of the complexes were confirmed by elemental analysis, mass spectrometry and NMR spectroscopy, and they were found to be consistent with a four-coordinate geometry. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.09.006