3-(hexadecylthio)-2-<(hexadecylthio)methyl>propyl 2,3,6-tri-O-acetyl-4-O-<2,4,6-tri-O-acetyl-3-O-<2-acetamido-3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-deoxy-β-D-glucopyranosyl>-β-D-galactopyranosyl>-β-D-glucopyranoside | 127570-58-5

• 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-<2-acetamido-3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-deoxy-β-D-glucopyranosyl>-β-D-galactopyranosyl>-β-D-glucopyranoside
• 英文别名: [(2R,3S,4R,5R,6S)-5-acetamido-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-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
• CAS: 127570-58-5
• 化学式: C₈₆H₁₄₁NO₃₃S₂
• 分子量: 1781.18
• InChiKey: BUNJFBJJYISRKL-JOQSWWOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.9
• 重原子数：
  122
• 可旋转键数：
  72
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  469
• 氢给体数：
  1
• 氢受体数：
  35

反应信息

• 作为产物：
  描述：

  乙酸酐 、 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 吡啶 作用下， 以150 mg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-<2-acetamido-3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-deoxy-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：——