Yarrezin B | 599193-91-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Yarrezin B
• 英文别名: Yarresin B
• CAS: 599193-91-6
• 化学式: C₃₆H₅₁NO₆
• 分子量: 593.804
• InChiKey: BPNDQNMLBVRJBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.69
• 重原子数：
  43.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  122.41
• 氢给体数：
  6.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  盐酸 、 Yarrezin B 、 hexahydroxyscandium(VIII) 以 水 为溶剂， 生成
  参考文献：
  名称：

  Semenov; Valkina; Reznik, Russian Journal of Inorganic Chemistry, 2004, vol. 49, # 8, p. 1295 - 1302

  摘要：

  DOI：

文献信息

• Extraction of titanium with phenol-formaldehyde resol oligomer Yarresin B from peroxide solutions
  作者：S. A. Semenov、A. Yu. Matviets、A. M. Reznik

  DOI：10.1134/s0036023608060260

  日期：2008.6

  Extraction of titanium by nitrogen-containing phenol-formaldehyde oligomer Yarresin B from peroxide sulfate solutions was studied. Molecular dynamic (MD), molecular mechanic (MM), ZINDO/1 semiempirical (single-point calculations; program package HyperChem, Release 7.52, Hypercube Inc.) calculations, and the Cambridge Structure Database (ConQuest 1.8) were used to solve the structure of the extracted complex [Ti(O)(2)OR(OH)(2)](2)SO(4).
• Extraction of niobium with phenol-formaldehyde resol oligomer Yarrezin B from peroxide solutions
  作者：D. V. Bychenkov、A. M. Reznik、S. A. Semenov

  DOI：10.1134/s0036023610050232

  日期：2010.5

  Extraction of niobium by nitrogen-containing phenol-formaldehyde resol oligomer Yarrezin B from peroxide sulfate solutions was studied. The stoichiometry of extraction was determined. The structure of the extracted complex Nb(O(2))(OH)O(2)R(OH)N was predicted by molecular mechanics (MM) and molecular dynamics (MD) methods and the semiempirical ZINDO/1 method (single-point calculations) with the use of the HyperChem Release 8.0.4 program package.