Benzoic acid (2S,3R,4S,5R,6R)-4-allyloxy-2-[(2R,3R,4S,5R,6S)-3,5-diacetoxy-2-acetoxymethyl-6-(4-methoxy-phenoxy)-tetrahydro-pyran-4-yloxy]-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl ester | 666258-35-1

• 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
• 英文名称: Benzoic acid (2S,3R,4S,5R,6R)-4-allyloxy-2-[(2R,3R,4S,5R,6S)-3,5-diacetoxy-2-acetoxymethyl-6-(4-methoxy-phenoxy)-tetrahydro-pyran-4-yloxy]-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl ester
• CAS: 666258-35-1
• 化学式: C₃₅H₄₂O₁₆
• 分子量: 718.709
• InChiKey: IBRXTJXPOGBIIB-ZCNBPVIYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.49
• 重原子数：
  51.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  201.04
• 氢给体数：
  2.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  Benzoic acid (2S,3R,4S,5R,6R)-4-allyloxy-2-[(2R,3R,4S,5R,6S)-3,5-diacetoxy-2-acetoxymethyl-6-(4-methoxy-phenoxy)-tetrahydro-pyran-4-yloxy]-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl ester 在 吡啶 、 palladium dichloride 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 4-methoxyphenyl 2,4,6-tri-O-benzoyl-β-D-glucopyranosyl-(1->3)-2,4,6-tri-O-acetyl-β-D-glucopyranoside
  参考文献：
  名称：

  Synthesis of 3,6‐Branched β‐d‐Glucose Oligosaccharides

  摘要：

  A glucohexasaccharide, beta-D-Glcp-(1-->3)-[beta-D-Glcp-(1-->3)-beta-D-Glcp-(1-->6)]-beta(..)D-Glcp-(1-->3)-beta-D-Glcp-(1-->3)-beta-D-Glcp was synthesized as its 4-methoxyphenyl glycosidevia 2 + 2 + 2 strategy with benzylidenated glucose mono- and disaccharides as the key intermediates.

  DOI：

  10.1081/car-120026599
• 作为产物：
  描述：

  4-methoxyphenyl 3-O-allyl-2-O-benzoyl-4,6-O-benzylidene-β-D-glucopyranosyl-(1->3)-2,4,6-tri-O-acetyl-β-D-glucopyranoside 在 溶剂黄146 作用下， 反应 2.0h， 以93%的产率得到Benzoic acid (2S,3R,4S,5R,6R)-4-allyloxy-2-[(2R,3R,4S,5R,6S)-3,5-diacetoxy-2-acetoxymethyl-6-(4-methoxy-phenoxy)-tetrahydro-pyran-4-yloxy]-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Synthesis of 3,6‐Branched β‐d‐Glucose Oligosaccharides

  摘要：

  A glucohexasaccharide, beta-D-Glcp-(1-->3)-[beta-D-Glcp-(1-->3)-beta-D-Glcp-(1-->6)]-beta(..)D-Glcp-(1-->3)-beta-D-Glcp-(1-->3)-beta-D-Glcp was synthesized as its 4-methoxyphenyl glycosidevia 2 + 2 + 2 strategy with benzylidenated glucose mono- and disaccharides as the key intermediates.

  DOI：

  10.1081/car-120026599