4,6,10,12,16,18,22,24-octahydroxy-5,11,17,23-tetra(1-carboxylate-2-methyl)propylammoniomethyl-2,8,14,20-tetra(4-methyl)phenylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacoza-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4,6,10,12,16,18,22,24-octahydroxy-5,11,17,23-tetra(1-carboxylate-2-methyl)propylammoniomethyl-2,8,14,20-tetra(4-methyl)phenylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacoza-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
• 英文别名: 3-Methyl-2-[[11,17,23-tris[[(1-carboxy-2-methylpropyl)amino]methyl]-4,6,10,12,16,18,22,24-octahydroxy-2,8,14,20-tetrakis(4-methylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]methylamino]butanoic acid
• 化学式: C₈₀H₉₂N₄O₁₆
• 分子量: 1365.63
• InChiKey: BOOUMEKEWFPNSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  100
• 可旋转键数：
  24
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  359
• 氢给体数：
  16
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 2,8,14,20-tetra-p-tolyl-4,6,10,12,16,18,22,24-octahydroxycalix-[4]-resorcarene 、 D,L-valine 以 乙醇 、 水 、 苯 为溶剂， 反应 20.0h， 以69%的产率得到4,6,10,12,16,18,22,24-octahydroxy-5,11,17,23-tetra(1-carboxylate-2-methyl)propylammoniomethyl-2,8,14,20-tetra(4-methyl)phenylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacoza-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
  参考文献：
  名称：

  Calix[4]resorcinols functionalized with amino acid residues

  摘要：

  By the Mannich reaction in ternary systems calix[4]resorcinol-amino acid (amino acid ester, amino lid ester hydrochloride)-formaldehyde calix[4]resorcinols were obtained functionalized on the upper molecule rim by amino acid residues.

  DOI：

  10.1134/s1070363209070159

文献信息

• Calix[4]resorcinols functionalized with amino acid residues
  作者：N. I. Shatalova、E. L. Gavrilova、N. A. Sidorov、A. R. Burilovb、M. A. Pudovik、E. A. Krasil’nikova、A. I. Konovalov

  DOI：10.1134/s1070363209070159

  日期：2009.7

  By the Mannich reaction in ternary systems calix[4]resorcinol-amino acid (amino acid ester, amino lid ester hydrochloride)-formaldehyde calix[4]resorcinols were obtained functionalized on the upper molecule rim by amino acid residues.