4-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-1-(4-hydroxybenzoyl)thiosemicarbazide | 1380540-27-1

• 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: 4-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-1-(4-hydroxybenzoyl)thiosemicarbazide
• 英文别名: 4-(2,3,4,6-tetra-O-acetyl-beta-d-glucopyranosyl)-1-(4-hydroxybenzoyl)thiosemicarbazide；[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(4-hydroxybenzoyl)amino]carbamothioylamino]oxan-2-yl]methyl acetate
• CAS: 1380540-27-1
• 化学式: C₂₂H₂₇N₃O₁₁S
• 分子量: 541.536
• InChiKey: YPPHHISQVHDCEY-GQUPQBGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  220
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2,3,4,6-四乙酰氧基-alpha-D-吡喃葡萄糖溴化物 以 邻二甲苯 为溶剂， 反应 10.0h， 生成 4-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-1-(4-hydroxybenzoyl)thiosemicarbazide
  参考文献：
  名称：

  Synthesis and antimicrobial activity of o- and p-hydroxybenzoic acid thiosemicarbazides

  摘要：

  The ortho- and para-hydroxybenzoic acid thiosemicarbazide derivatives which are potentially biologically active substances were obtained by the reaction of the corresponding hydrazides with various isothiocyanates. Their structures were determined using IR, H-1 NMR spectroscopy, and mass spectrometry. Pronounced antimicrobial activity of synthesized derivatives was revealed.

  DOI：

  10.1134/s107036321204010x