Sodium; (S)-2-{(2R,3R,4S,5S,6R)-3-benzoyloxy-5-hydroxy-6-hydroxymethyl-2-[(2R,3S,4R)-2-hydroxymethyl-3-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yloxy]-tetrahydro-pyran-4-yloxy}-3-cyclohexyl-propionate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 糖脂
• 英文名称: Sodium; (S)-2-{(2R,3R,4S,5S,6R)-3-benzoyloxy-5-hydroxy-6-hydroxymethyl-2-[(2R,3S,4R)-2-hydroxymethyl-3-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yloxy]-tetrahydro-pyran-4-yloxy}-3-cyclohexyl-propionate
• 英文别名: sodium;(2S)-2-[(2R,3S,4S,5R,6R)-5-benzoyloxy-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R)-2-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxy-3-cyclohexylpropanoate
• 化学式: C₃₄H₄₉O₁₆*Na
• 分子量: 736.743
• InChiKey: UUOQLCUTRKDRTP-OSSFEFPESA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.85
• 重原子数：
  51
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  243
• 氢给体数：
  6
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  O-3-O-[(1S)-1-cyclohexylmethyl)-2-oxo-2-(phenylmethoxy)ethyl]-2,4,6-tris-O-(phenylmethyl)-β-D-galactopyranosyl-(1->3)-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-α-L-galactopyranosyl-(1->4)]-1,5-anhydro-2-deoxy-D-arabino-hexitol 在 palladium on activated charcoal 氢气 、 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 Sodium; (S)-2-{(2R,3R,4S,5S,6R)-3-benzoyloxy-5-hydroxy-6-hydroxymethyl-2-[(2R,3S,4R)-2-hydroxymethyl-3-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yloxy]-tetrahydro-pyran-4-yloxy}-3-cyclohexyl-propionate
  参考文献：
  名称：

  A Readily Available, Highly Potent E-Selectin Antagonist

  摘要：

  DOI：

  10.1002/1521-3773(20011001)40:19<3644::aid-anie3644>3.0.co;2-s

文献信息

• A Readily Available, Highly Potent E-Selectin Antagonist
  作者：Gebhard Thoma、Rolf Bänteli、Wolfgang Jahnke、John L. Magnani、John T. Patton

  DOI：10.1002/1521-3773(20011001)40:19<3644::aid-anie3644>3.0.co;2-s

  日期：2001.10.1