methyl O-(3-O-allyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(2,3,4-tri-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(3-O-allyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-2,3,4-tri-O-toluoyl-α-D-glucopyranoside | 187863-44-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl O-(3-O-allyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(2,3,4-tri-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(3-O-allyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-2,3,4-tri-O-toluoyl-α-D-glucopyranoside
• CAS: 187863-44-1
• 化学式: C₁₁₁H₁₁₂O₃₁
• 分子量: 1942.09
• InChiKey: QTQWQZPKCNUAJM-XUQKYDABSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.06
• 重原子数：
  142.0
• 可旋转键数：
  37.0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  375.53
• 氢给体数：
  1.0
• 氢受体数：
  31.0

反应信息

• 作为反应物：
  描述：

  methyl O-(3-O-allyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(2,3,4-tri-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(3-O-allyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-2,3,4-tri-O-toluoyl-α-D-glucopyranoside 在 甲醇 、 sodium methylate 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  An efficient synthesis of methyl tetra-o-hexyl gentiooctaoside, an octaosyl analogue of ANP receptor antagonist HS-142-1

  摘要：

  Methyl O-(3-O-hexyl-beta-D-glucopyranosyl)-(1-->6)-[O-(beta-D-glucopyranosyl)-(1-->6)-O-(3-O-hexyl-beta-D-glucopyranosyl)-(1-->6)],-beta-D-glucopyranoside, a 3-O hexyl analogue of the octaosyl component of fungal lipooligosaccharide HS-142-1, was stereo- and regioselectively synthesized as a potent antagonist for the tetrameric atrial natriuretic peptide (ANP) receptors. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0968-0896(96)00214-3
• 作为产物：
  描述：

  methyl O-(3-O-allyl-6-O-levulinoyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(2,3,4-tri-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(3-O-allyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-2,3,4-tri-O-toluoyl-α-D-glucopyranoside 在 methylhydrazine monoacetate 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以92%的产率得到methyl O-(3-O-allyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(2,3,4-tri-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(3-O-allyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-2,3,4-tri-O-toluoyl-α-D-glucopyranoside
  参考文献：
  名称：

  An efficient synthesis of methyl tetra-o-hexyl gentiooctaoside, an octaosyl analogue of ANP receptor antagonist HS-142-1

  摘要：

  Methyl O-(3-O-hexyl-beta-D-glucopyranosyl)-(1-->6)-[O-(beta-D-glucopyranosyl)-(1-->6)-O-(3-O-hexyl-beta-D-glucopyranosyl)-(1-->6)],-beta-D-glucopyranoside, a 3-O hexyl analogue of the octaosyl component of fungal lipooligosaccharide HS-142-1, was stereo- and regioselectively synthesized as a potent antagonist for the tetrameric atrial natriuretic peptide (ANP) receptors. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0968-0896(96)00214-3