(2R,3S,4R,5R)-N-[2-[bis[2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]ethyl]amino]ethyl]-2,3,4,5,6-pentahydroxyhexanamide | 1380329-33-8

• 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,3S,4R,5R)-N-[2-[bis[2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]ethyl]amino]ethyl]-2,3,4,5,6-pentahydroxyhexanamide
• CAS: 1380329-33-8
• 化学式: C₂₄H₄₈N₄O₁₈
• 分子量: 680.661
• InChiKey: SPSDYAHDNLKPAF-QZNJQKEKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11.3
• 重原子数：
  46
• 可旋转键数：
  24
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  394
• 氢给体数：
  18
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  三(2-氨基乙基)胺 、 葡萄糖酸内酯 以 甲醇 为溶剂， 反应 12.0h， 以65%的产率得到(2R,3S,4R,5R)-N-[2-[bis[2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]ethyl]amino]ethyl]-2,3,4,5,6-pentahydroxyhexanamide
  参考文献：
  名称：

  Synthesis and evaluation of d-gluconamides as green mineral scales

  摘要：

  A series of 13 D-gluconamides were synthesized in moderate to good yields and evaluated as green scale inhibitors. The crystal structures of two compounds were determined by X-ray crystallography. The compounds 6c and 6d showed a reasonable inhibition of BaSO4 precipitation from aqueous solution (47% and 51%, respectively) that indicated the potential for these derivatives of delta-gluconolactone. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2012.01.027

文献信息

• Synthesis and evaluation of d-gluconamides as green mineral scales
  作者：Marcelo I.P. Reis、Aline D. Gonçalves、Fernando de C. da Silva、Alessandro K. Jordão、Ricardo J. Alves、Saulo Fernandes de Andrade、Jackson A.L.C. Resende、Anderson A. Rocha、Vitor F. Ferreira

  DOI：10.1016/j.carres.2012.01.027

  日期：2012.5

  A series of 13 D-gluconamides were synthesized in moderate to good yields and evaluated as green scale inhibitors. The crystal structures of two compounds were determined by X-ray crystallography. The compounds 6c and 6d showed a reasonable inhibition of BaSO4 precipitation from aqueous solution (47% and 51%, respectively) that indicated the potential for these derivatives of delta-gluconolactone. (C) 2012 Elsevier Ltd. All rights reserved.