3,6,9,12,15,18,21,24,27,30,33,36-十二氧杂二五十烷-1-醇 | 13149-83-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,6,9,12,15,18,21,24,27,30,33,36-十二氧杂二五十烷-1-醇
• 英文名称: 1-Hydroxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxa-dopentacontan
• 英文别名: Dodeca-oxyaethylen-glykol-monohexadecylaether；35-hexadecyloxy-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-pentatriacontan-1-ol；ceteth 12；3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxadopentacontan-1-ol；2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• CAS: 13149-83-2
• 化学式: C₄₀H₈₂O₁₃
• 分子量: 771.083
• InChiKey: DVCJBXDDMHZFDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  53
• 可旋转键数：
  50
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  131
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  3,6,9,12,15,18,21,24,27,30,33,36-十二氧杂二五十烷-1-醇 、 硼酸 以 not given 为溶剂， 生成
  参考文献：
  名称：

  B-podand complexes with sodium ions: the reaction heats and PM5 semiempirical calculation

  摘要：

  The complexation reactions of two types of tris(oxaalkyl) borates (B-podands with CH3 Or C16H33 terminal groups) with Na+ cations have been studied by calorimetric and PM5 theoretical methods. Both methods provide evidence for formation of the respective complexes with Na+ cations of different stoichiometry. For compounds with short oxaalkyl chains the formation of 1:1 complexes and for compounds with longer oxaalkyl chains the formation of 1:x (x > 1) complexes has been found. The stoichiometry of the complexes estimated from the HOF values of the complexes is in well agreement with the calorimetric results. The structures of the complexes are visualised using semiempirical PM5 method. (C) 2007 Published by Elsevier B.V.

  DOI：

  10.1016/j.molstruc.2006.10.050
• 作为产物：
  描述：

  1-十六烷醇 、 环氧乙烷 、 sodium hydroxide 生成 3,6,9,12,15,18,21,24,27,30,33,36-十二氧杂二五十烷-1-醇
  参考文献：
  名称：

  VILCEANU R.; VENCZEL A., REV. CHIM. (RSR), 1980, 31, NO 11, 1062-1065

  摘要：

  DOI：

文献信息

• METHOD OF PREPARING CONTROLLED-RELEASE PREPARATIONS FOR BIOLOGICALLY ACTIVE MATERIALS AND RESULTING COMPOSITIONS
  申请人：FLUIDCARBON INTERNATIONAL AB

  公开号：EP0126751A1

  公开（公告）日：1984-12-05
• METHOD OF PREPARING CONTROLLED-RELEASE PREPARATIONS FOR BIOLOGICALLY ACTIVE MATERIALS
  申请人：FLUIDCRYSTAL I MALMÖ AB

  公开号：EP0126751B1

  公开（公告）日：1988-05-04
• [EN] METHOD OF PREPARING CONTROLLED-RELEASE PREPARATIONS FOR BIOLOGICALLY ACTIVE MATERIALS AND RESULTING COMPOSITIONS
  申请人：——

  公开号：WO1984002076A1

  公开（公告）日：1984-06-07

  (EN) A method for preparing a controlled-release composition for biologically active materials, the composition consisting of amphiphilic substances capable of forming liquid crystalline phases, especially cubic phases, in aqueous medium. The bioactive material is either dissolved or dispersed in the liquid crystalline phase, or alternatively, coated by the liquid crystalline phase. The invention is advantageous from thermodynamical and mechanical points of view, and a rich variety of applications exists. (FR) Procédé de préparation d"une composition à libération contrôlée pour matériaux biologiquement actifs, la composition étant formée de substances amphiphiles capables de former des phases cristallines liquides, en particulier des phases cubiques, dans un milieu aqueux. Le matériau bioactif est soit dissout soit dispersé dans la phase cristalline liquide, ou alternativement, enduit par la phase cristalline liquide. La présente invention est avantageuse d"un point de vue thermodynamique et mécanique, et de nombreuses possibilités d"application existent.
• B-podand complexes with sodium ions: the reaction heats and PM5 semiempirical calculation
  作者：Bogusława Łęska、Radosław Pankiewicz、Oksana Nevecheriya、Volodimir I. Rybachenko、Grzegorz Schroeder、Bogumił Brzezinski

  DOI：10.1016/j.molstruc.2006.10.050

  日期：2007.9

  The complexation reactions of two types of tris(oxaalkyl) borates (B-podands with CH3 Or C16H33 terminal groups) with Na+ cations have been studied by calorimetric and PM5 theoretical methods. Both methods provide evidence for formation of the respective complexes with Na+ cations of different stoichiometry. For compounds with short oxaalkyl chains the formation of 1:1 complexes and for compounds with longer oxaalkyl chains the formation of 1:x (x > 1) complexes has been found. The stoichiometry of the complexes estimated from the HOF values of the complexes is in well agreement with the calorimetric results. The structures of the complexes are visualised using semiempirical PM5 method. (C) 2007 Published by Elsevier B.V.
• VILCEANU R.; VENCZEL A., REV. CHIM. (RSR), 1980, 31, NO 11, 1062-1065
  作者：VILCEANU R.、 VENCZEL A.

  DOI：——

  日期：——