| 1383446-38-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1383446-38-5
• 化学式: C₇₃H₉₀N₄O₁₄Si₂
• 分子量: 1303.71
• InChiKey: FXKSCANPDDKNDV-IFWNCDNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  93.0
• 可旋转键数：
  34.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  197.85
• 氢给体数：
  1.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  在 ammonium cerium (IV) nitrate 作用下， 以 水 、 乙腈 为溶剂， 反应 10.0h， 以87%的产率得到
  参考文献：
  名称：

  Sulfoform generation from an orthogonally protected disaccharide

  摘要：

  An orthogonally protected disaccharide (GlcN(alpha 1 -> 4)Glc) with a beta-linked 2 '-aminoethyl linker was used to generate a series of sulfated derivatives (sulfoforms), with a 6-O-sulfate on the glucose residue and one or more sulfate esters on the terminal glucosamine. Deprotection and sulfonation steps were performed in solution and in variable order, with isolated yields of 36-54% (85-90% per operation) after HPLC purification. The modular deprotection-sulfonation sequences can be performed with efficient recovery of the polysulfate products, and avoids complications associated with heterogeneous reactivity in solid-phase synthesis. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2012.04.010
• 作为产物：
  描述：

  benzyl N-[2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]-3,4-bis(phenylmethoxy)oxan-2-yl]oxyethyl]carbamate 、 2-[[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(4-methylphenyl)sulfanyl-3-phenylmethoxyoxan-4-yl]oxymethoxy]ethyl-trimethylsilane 在 N-碘代丁二酰亚胺 、 三氟甲磺酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 5.0h， 以68%的产率得到
  参考文献：
  名称：

  Sulfoform generation from an orthogonally protected disaccharide

  摘要：

  An orthogonally protected disaccharide (GlcN(alpha 1 -> 4)Glc) with a beta-linked 2 '-aminoethyl linker was used to generate a series of sulfated derivatives (sulfoforms), with a 6-O-sulfate on the glucose residue and one or more sulfate esters on the terminal glucosamine. Deprotection and sulfonation steps were performed in solution and in variable order, with isolated yields of 36-54% (85-90% per operation) after HPLC purification. The modular deprotection-sulfonation sequences can be performed with efficient recovery of the polysulfate products, and avoids complications associated with heterogeneous reactivity in solid-phase synthesis. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2012.04.010