Benzoic acid (2S,4aR,6S,7R,8R,8aR)-7-acetylamino-6-octyloxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester | 390400-48-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃二恶英
• 英文名称: Benzoic acid (2S,4aR,6S,7R,8R,8aR)-7-acetylamino-6-octyloxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester
• CAS: 390400-48-3
• 化学式: C₃₀H₃₉NO₇
• 分子量: 525.642
• InChiKey: UHKAJWPSIVGSFI-GYDQWNSRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.93
• 重原子数：
  38.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  92.32
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  Benzoic acid (2S,4aR,6S,7R,8R,8aR)-7-acetylamino-6-octyloxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester 在 sodium methylate 、 溶剂黄146 、 DMTST 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 30.0h， 生成 Bz(-2)[Bz(-3)][Bz(-4)][Bz(-6)]Gal(b1-3)GalNAc(a)-O-octyl
  参考文献：
  名称：

  Efficient synthesis of lactosaminylated core-2 O-glycans

  摘要：

  A series of lactosaminylated oligosaccharides found in mucin type O-glycans was synthesized using a generalized block strategy. The synthesis involved the addition of a protected lactosamine donor to a partially protected T-disaccharide derivative. The nonreducing galactose residues of the deblocked oligosaccharide products could be removed by beta -galactosidase from jack bean to produce the corresponding GlcNAc terminated compounds. A series of tri- to hexasaccharides was thus efficiently produced. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00550-9
• 作为产物：
  描述：

  在 吡啶 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三氯乙腈 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 Benzoic acid (2S,4aR,6S,7R,8R,8aR)-7-acetylamino-6-octyloxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester
  参考文献：
  名称：

  Efficient synthesis of lactosaminylated core-2 O-glycans

  摘要：

  A series of lactosaminylated oligosaccharides found in mucin type O-glycans was synthesized using a generalized block strategy. The synthesis involved the addition of a protected lactosamine donor to a partially protected T-disaccharide derivative. The nonreducing galactose residues of the deblocked oligosaccharide products could be removed by beta -galactosidase from jack bean to produce the corresponding GlcNAc terminated compounds. A series of tri- to hexasaccharides was thus efficiently produced. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00550-9