2,2-Dimethyl-propionic acid (2S,3R,4R,5S,6R)-3-acetylamino-6-(2,2-dimethyl-propionyloxymethyl)-5-hydroxy-2-octyloxy-tetrahydro-pyran-4-yl ester | 493027-36-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-Dimethyl-propionic acid (2S,3R,4R,5S,6R)-3-acetylamino-6-(2,2-dimethyl-propionyloxymethyl)-5-hydroxy-2-octyloxy-tetrahydro-pyran-4-yl ester
• CAS: 493027-36-4
• 化学式: C₂₆H₄₇NO₈
• 分子量: 501.661
• InChiKey: HUOJUNIOESZDQN-LMYCIYFBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  35.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  120.39
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-propionic acid (2S,3R,4R,5S,6R)-3-acetylamino-6-(2,2-dimethyl-propionyloxymethyl)-5-hydroxy-2-octyloxy-tetrahydro-pyran-4-yl ester 在 吡啶 、 水 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 2,2-Dimethyl-propionic acid (2R,3R,4R,5R,6S)-5-acetylamino-2-(2,2-dimethyl-propionyloxymethyl)-4-hydroxy-6-octyloxy-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Chemoenzymatic synthesis of sulfated O-linked oligosaccharides: epitopes for MECA-79

  摘要：

  Sulfated oligosaccharides I,II and III, representatives of those found on L-selectin counterreceptors, have been efficiently prepared employing a combination of chemical and enzymatic synthetic methods. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01795-1
• 作为产物：
  描述：

  三甲基乙酰氯 、 octyl 2-acetamido-2-deoxy-α-D-glucopyranoside 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 2,2-Dimethyl-propionic acid (2S,3R,4R,5S,6R)-3-acetylamino-6-(2,2-dimethyl-propionyloxymethyl)-5-hydroxy-2-octyloxy-tetrahydro-pyran-4-yl ester
  参考文献：
  名称：

  Chemoenzymatic synthesis of sulfated O-linked oligosaccharides: epitopes for MECA-79

  摘要：

  Sulfated oligosaccharides I,II and III, representatives of those found on L-selectin counterreceptors, have been efficiently prepared employing a combination of chemical and enzymatic synthetic methods. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01795-1