3-(hexadecylthio)-2-<(hexadecylthio)methyl>propyl 2,3,6-tri-O-acetyl-4-O-<2,4,6-tri-O-acetyl-3-O-<3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-deoxy-2-phthalimido-β-D-glucopyranosyl>-β-D-galactopyranosyl>-β-D-glucopyranoside | 127570-57-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(hexadecylthio)-2-<(hexadecylthio)methyl>propyl 2,3,6-tri-O-acetyl-4-O-<2,4,6-tri-O-acetyl-3-O-<3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-deoxy-2-phthalimido-β-D-glucopyranosyl>-β-D-galactopyranosyl>-β-D-glucopyranoside
• 英文别名: [(2R,3S,4R,5R,6S)-4-acetyloxy-6-[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[3-hexadecylsulfanyl-2-(hexadecylsulfanylmethyl)propoxy]oxan-3-yl]oxyoxan-4-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
• CAS: 127570-57-4
• 化学式: C₉₂H₁₄₁NO₃₄S₂
• 分子量: 1869.25
• InChiKey: XZZHVHCJKHEDRE-NLGJUNBPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.47
• 重原子数：
  129.0
• 可旋转键数：
  60.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  426.82
• 氢给体数：
  0.0
• 氢受体数：
  36.0

反应信息

• 作为反应物：
  描述：

  3-(hexadecylthio)-2-<(hexadecylthio)methyl>propyl 2,3,6-tri-O-acetyl-4-O-<2,4,6-tri-O-acetyl-3-O-<3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-deoxy-2-phthalimido-β-D-glucopyranosyl>-β-D-galactopyranosyl>-β-D-glucopyranoside 在 一水合肼 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Prespacer glycosides in glycoconjugate chemistry. Dibromoisobutyl (DIB) glycosides for the synthesis of neoglycolipids, neoglycoproteins, neoglycoparticles, and soluble glycosides

  摘要：

  DOI：

  10.1021/jo00299a044
• 作为产物：
  描述：

  1-十六烷硫醇 、 3-bromo-2-(bromomethyl)propyl 2,3,6-tri-O-acetyl-4-O-<2,4,6-tri-O-acetyl-3-O-<3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-deoxy-2-phthalimido-β-D-glucopyranosyl>-β-D-galactopyranosyl>-β-D-glucopyranoside 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 以61%的产率得到3-(hexadecylthio)-2-<(hexadecylthio)methyl>propyl 2,3,6-tri-O-acetyl-4-O-<2,4,6-tri-O-acetyl-3-O-<3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-deoxy-2-phthalimido-β-D-glucopyranosyl>-β-D-galactopyranosyl>-β-D-glucopyranoside
  参考文献：
  名称：

  Prespacer glycosides in glycoconjugate chemistry. Dibromoisobutyl (DIB) glycosides for the synthesis of neoglycolipids, neoglycoproteins, neoglycoparticles, and soluble glycosides

  摘要：

  DOI：

  10.1021/jo00299a044

文献信息

• MAGNUSSON, GORAN;AHLFORS, STEFAN;DAHMEN, JAN;JANSSON, KARL;NILSSON, ULF;N+, J. ORG. CHEM., 55,(1990) N2, C. 3932-3946
  作者：MAGNUSSON, GORAN、AHLFORS, STEFAN、DAHMEN, JAN、JANSSON, KARL、NILSSON, ULF、N+

  DOI：——

  日期：——