(2R,3R,4S,5R,6R)-2-{(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-(4-Benzylsulfanyl-butoxy)-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy]-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy}-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol | 906802-38-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3R,4S,5R,6R)-2-{(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-(4-Benzylsulfanyl-butoxy)-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy]-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy}-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
• 英文别名: (2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-(4-benzylsulfanylbutoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 906802-38-8
• 化学式: C₂₉H₄₆O₁₆S
• 分子量: 682.741
• InChiKey: FDZIUHHNWWIPQF-WQUPCKQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  46
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  283
• 氢给体数：
  10
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  tris(3-bromopropyl)phenylsilane 、 (2R,3R,4S,5R,6R)-2-{(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-(4-Benzylsulfanyl-butoxy)-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy]-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy}-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol 在 sodium 作用下， 以 氨 为溶剂， 以88%的产率得到
  参考文献：
  名称：

  Synthetic assembly of trisaccharide moieties of globotriaosyl ceramide using carbosilane dendrimers as cores. A new type of functional glyco-material

  摘要：

  As a novel type of artificial receptor for Vero toxins, three pairs of carbosilane dendrimers uniformly carrying 12, 6, and 3 units of trisaccharide moieties of globotriaosyl ceramide were prepared through formation of the sulfide linkages in liquid NH3, which revealed unexpected differences among their biological responses. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01632-9
• 作为产物：
  描述：

  [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-but-3-enoxy-3-[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methyl acetate 在 偶氮二异丁腈 、 sodium methylate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 生成 (2R,3R,4S,5R,6R)-2-{(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-(4-Benzylsulfanyl-butoxy)-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy]-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy}-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
  参考文献：
  名称：

  Synthetic assembly of trisaccharide moieties of globotriaosyl ceramide using carbosilane dendrimers as cores. A new type of functional glyco-material

  摘要：

  As a novel type of artificial receptor for Vero toxins, three pairs of carbosilane dendrimers uniformly carrying 12, 6, and 3 units of trisaccharide moieties of globotriaosyl ceramide were prepared through formation of the sulfide linkages in liquid NH3, which revealed unexpected differences among their biological responses. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01632-9