11,23-Bis[bis(dimethoxyphosphoryl)methyl]-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol | 1260405-23-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 11,23-Bis[bis(dimethoxyphosphoryl)methyl]-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
• CAS: 1260405-23-9
• 化学式: C₄₄H₆₀O₁₆P₄
• 分子量: 968.846
• InChiKey: DQAHRCSUYLJQAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  64
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  201
• 氢给体数：
  2
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  11,23-Bis[bis(dimethoxyphosphoryl)methyl]-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol 在 三甲基溴硅烷 、 甲醇 作用下， 生成 [[17-(Diphosphonomethyl)-26,28-dihydroxy-25,27-dipropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-phosphonomethyl]phosphonic acid
  参考文献：
  名称：

  Synthesis of Calixarene-Methylenebisphosphonic Acids and Their Influence on Fibrin Polymerization

  摘要：

  A series of hydroxycalix[4]arenes bearing one, two, or four fragments of methylenebisphosphonic acids was synthesized by the reaction of appropriate formylcalixarenes with sodium salts of dialkylphosphites. These calixarenes inhibit specifically 50% of fibrin polymerization in the fibrinogen + thrombin reaction as well as monomeric fibrin desAABB polymerization in concentration up to 0.5 x 10(-6) M.

  DOI：

  10.1080/10426507.2010.521212
• 作为产物：
  描述：

  25,27-dipropyloxy-5,17-diformylcalix[4]arene 、 亚磷酸二甲酯 在 sodium 作用下， 生成 11,23-Bis[bis(dimethoxyphosphoryl)methyl]-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
  参考文献：
  名称：

  Synthesis of Calixarene-Methylenebisphosphonic Acids and Their Influence on Fibrin Polymerization

  摘要：

  A series of hydroxycalix[4]arenes bearing one, two, or four fragments of methylenebisphosphonic acids was synthesized by the reaction of appropriate formylcalixarenes with sodium salts of dialkylphosphites. These calixarenes inhibit specifically 50% of fibrin polymerization in the fibrinogen + thrombin reaction as well as monomeric fibrin desAABB polymerization in concentration up to 0.5 x 10(-6) M.

  DOI：

  10.1080/10426507.2010.521212