| 904319-39-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 904319-39-7
• 化学式: C₆₄H₈₃Cl₃N₂O₂₉
• 分子量: 1450.72
• InChiKey: VKDDTEAMBIJMJD-GIUJLRQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.42
• 重原子数：
  98.0
• 可旋转键数：
  31.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  377.02
• 氢给体数：
  1.0
• 氢受体数：
  29.0

反应信息

• 作为反应物：
  描述：

  在 溶剂黄146 、 锌 作用下， 反应 1.0h， 以87%的产率得到3-[[2-[6-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-benzoyloxy-5-[(2S,3S,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-benzoyloxyoxan-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyhexylamino]-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
  参考文献：
  名称：

  Synthesis of a novel glycosphingolipid from the millipede, Parafontaria laminata armigera, and the assembly of its carbohydrate moiety into multivalent structures

  摘要：

  A novel glycosphingolipid, beta-D-Manp-(1 -> 4)-[alpha-L-Fucp-(1 -> 3)]-beta-D-Glcp-(1 -> 1)-Cer, found in the millipede, Parafontaria laminata armigera, and multivalent derivatives of its carbohydrate moiety were synthesized. As the key step, the target glycolipid (1) was obtained through an inversion reaction at the 2-position of a beta-glucopyranoside residue yielding a P-mannopyranoside. In addition, the synthesis of fluorescently labeled trimer and tetramer glycoconjugates (2, 3) was achieved by iterative amide bond formation using a monomer unit (24). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2006.04.019
• 作为产物：
  描述：

  N-(2,2,2-trichloroethoxycarbonyl)hexanolamine 在 molecular sieve 、 三氟甲磺酸三甲基硅酯 、 溶剂黄146 、 三乙胺 、 焦碳酸二乙酯 、 锌 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成
  参考文献：
  名称：

  Synthesis of a novel glycosphingolipid from the millipede, Parafontaria laminata armigera, and the assembly of its carbohydrate moiety into multivalent structures

  摘要：

  A novel glycosphingolipid, beta-D-Manp-(1 -> 4)-[alpha-L-Fucp-(1 -> 3)]-beta-D-Glcp-(1 -> 1)-Cer, found in the millipede, Parafontaria laminata armigera, and multivalent derivatives of its carbohydrate moiety were synthesized. As the key step, the target glycolipid (1) was obtained through an inversion reaction at the 2-position of a beta-glucopyranoside residue yielding a P-mannopyranoside. In addition, the synthesis of fluorescently labeled trimer and tetramer glycoconjugates (2, 3) was achieved by iterative amide bond formation using a monomer unit (24). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2006.04.019