11-thioacetylundecyl 3-O-[(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-O-α-D-glycero-D-galacto-2-nonulopyranosylhexanyl)triazol-1-methyl]-2,4,6-tri-O-benzoyl-β-D-galactopyranoside | 1196990-44-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 11-thioacetylundecyl 3-O-[(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-O-α-D-glycero-D-galacto-2-nonulopyranosylhexanyl)triazol-1-methyl]-2,4,6-tri-O-benzoyl-β-D-galactopyranoside
• CAS: 1196990-44-9
• 化学式: C₆₉H₉₀N₄O₂₃S
• 分子量: 1375.55
• InChiKey: LDESHSBXRAVKIE-RSYZNNERSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  97.0
• 可旋转键数：
  40.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  333.43
• 氢给体数：
  1.0
• 氢受体数：
  27.0

反应信息

• 作为反应物：
  描述：

  11-thioacetylundecyl 3-O-[(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-O-α-D-glycero-D-galacto-2-nonulopyranosylhexanyl)triazol-1-methyl]-2,4,6-tri-O-benzoyl-β-D-galactopyranoside 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 40.0h， 生成
  参考文献：
  名称：

  Synthesis of Neu5Ac-Gal-functionalized gold glyconanoparticles

  摘要：

  Neu5Ac-Gal-containing neoglycoside 1 was convergently synthesized through Cu(I)-catalyzed 1,3-dipolar cycloaddition of methyl (6-azidohexyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-O-alpha-D-glycero-D-galacto-2-nonulopyranosyl)uronate and 11-thioacetylundecyl 2,4,6-tri-O-benzoyl-3-O-propargyl-beta-D-galactopyranoside. The stable and water-soluble gold glyconanoparticle 2 (d = 3.4 nm) has been successfully prepared from neoglycoside 1 and characterized by NMR, IR, and TEM techniques. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2009.06.039
• 作为产物：
  描述：

  11-thioacetylundecyl 2,4,6-tri-O-benzoyl-3-O-propargyl-β-D-galactopyranoside 、 methyl (6-azidohexyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-O-α-D-glycero-D-galacto-2-nonulopyranosid)onate 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 为溶剂， 以92%的产率得到11-thioacetylundecyl 3-O-[(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-O-α-D-glycero-D-galacto-2-nonulopyranosylhexanyl)triazol-1-methyl]-2,4,6-tri-O-benzoyl-β-D-galactopyranoside
  参考文献：
  名称：

  Synthesis of Neu5Ac-Gal-functionalized gold glyconanoparticles

  摘要：

  Neu5Ac-Gal-containing neoglycoside 1 was convergently synthesized through Cu(I)-catalyzed 1,3-dipolar cycloaddition of methyl (6-azidohexyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-O-alpha-D-glycero-D-galacto-2-nonulopyranosyl)uronate and 11-thioacetylundecyl 2,4,6-tri-O-benzoyl-3-O-propargyl-beta-D-galactopyranoside. The stable and water-soluble gold glyconanoparticle 2 (d = 3.4 nm) has been successfully prepared from neoglycoside 1 and characterized by NMR, IR, and TEM techniques. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2009.06.039