Acetic acid (2R,3R,4R,5R,6S)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-[2-(6-amino-hexanoylamino)-ethoxy]-tetrahydro-pyran-4-yl ester | 593252-77-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Acetic acid (2R,3R,4R,5R,6S)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-[2-(6-amino-hexanoylamino)-ethoxy]-tetrahydro-pyran-4-yl ester
• 英文别名: [(2R,3R,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[2-(6-aminohexanoylamino)ethoxy]oxan-2-yl]methyl acetate
• CAS: 593252-77-8
• 化学式: C₂₂H₃₇N₃O₁₀
• 分子量: 503.55
• InChiKey: XLTSIOMAKFWBBQ-VOFPXKNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  35
• 可旋转键数：
  17
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  182
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Acetic acid (2R,3R,4R,5R,6S)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-[2-(6-amino-hexanoylamino)-ethoxy]-tetrahydro-pyran-4-yl ester 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 48.5h， 生成 (2R,2'R,3R,3'R,4R,4'R,5R,5'R,6S,6'S)-((13-(4-((tert-butoxycarbonyl)amino)butyl)-4,11,15,22-tetraoxo-3,10,13,16,23-pentaazapentacosane-1,25-diyl)bis(oxy))bis(5-acetamido-2-(acetoxymethyl)tetrahydro-2H-pyran-6,3,4-triyl) tetraacetate
  参考文献：
  名称：

  Amphiphilicp-tert-Butylcalix[4]arene Scaffolds Containing Exposed Carbohydrate Dendrons

  摘要：

  The best of both worlds. Amphiphilic hybrid molecules, in which water-exposed glycodendrons are attached to a hydrophobic p-tert-butylcalix[4]arene scaffold, display strong affinities for both carbohydrate-binding proteins and polystyrene surfaces (shown schematically). The molecules can form monolayers useful in bioanalytical devices.

  DOI：

  10.1002/(sici)1521-3773(19990201)38:3<369::aid-anie369>3.0.co;2-1
• 作为产物：
  描述：

  Acetic acid (2R,3R,4R,5R,6S)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-[2-(6-tert-butoxycarbonylamino-hexanoylamino)-ethoxy]-tetrahydro-pyran-4-yl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 Acetic acid (2R,3R,4R,5R,6S)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-[2-(6-amino-hexanoylamino)-ethoxy]-tetrahydro-pyran-4-yl ester
  参考文献：
  名称：

  Amphiphilicp-tert-Butylcalix[4]arene Scaffolds Containing Exposed Carbohydrate Dendrons

  摘要：

  The best of both worlds. Amphiphilic hybrid molecules, in which water-exposed glycodendrons are attached to a hydrophobic p-tert-butylcalix[4]arene scaffold, display strong affinities for both carbohydrate-binding proteins and polystyrene surfaces (shown schematically). The molecules can form monolayers useful in bioanalytical devices.

  DOI：

  10.1002/(sici)1521-3773(19990201)38:3<369::aid-anie369>3.0.co;2-1