Acetic acid (2R,3R,4R,5R,6R)-3-acetoxy-2-acetoxymethyl-6-[(4aR,6S,7R,8R,8aR)-7-acetylamino-6-methoxy-2-(4-methoxy-phenyl)-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yloxy]-5-(4-nitro-benzyloxycarbonylamino)-tetrahydro-pyran-4-yl ester | 276241-25-9

• 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,6R)-3-acetoxy-2-acetoxymethyl-6-[(4aR,6S,7R,8R,8aR)-7-acetylamino-6-methoxy-2-(4-methoxy-phenyl)-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yloxy]-5-(4-nitro-benzyloxycarbonylamino)-tetrahydro-pyran-4-yl ester
• CAS: 276241-25-9
• 化学式: C₃₇H₄₅N₃O₁₈
• 分子量: 819.774
• InChiKey: DKEMCHQTKFWWBJ-NIOKYPOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.73
• 重原子数：
  58.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  254.08
• 氢给体数：
  2.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (2R,3R,4R,5R,6R)-3-acetoxy-2-acetoxymethyl-6-[(4aR,6S,7R,8R,8aR)-7-acetylamino-6-methoxy-2-(4-methoxy-phenyl)-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yloxy]-5-(4-nitro-benzyloxycarbonylamino)-tetrahydro-pyran-4-yl ester 在 sodium dithionite 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 0.17h， 以80%的产率得到Acetic acid (2R,3R,4R,5R,6R)-3-acetoxy-2-acetoxymethyl-6-[(4aR,6S,7R,8R,8aR)-7-acetylamino-6-methoxy-2-(4-methoxy-phenyl)-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yloxy]-5-amino-tetrahydro-pyran-4-yl ester
  参考文献：
  名称：

  N - p -Nitrobenzyloxycarbonyl galactosamine imidate as a glycosyl donor for the efficient synthesis of mucin core-2 analogue

  摘要：

  An efficient synthesis of the mucin core-2 analogue la was accomplished using N-p-nitrobenzyloxycarbonyl(PNZ)-protected trichloroacetimidate 4 as a novel glycosyl donor. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00107-4
• 作为产物：
  描述：

  2-N-p-nitrobenzyloxycarbonyl-3,4,6-tri-O-acetyl-D-galactosamine 在 mol. siev. 4 A 、 三乙基硅基三氟甲磺酸酯 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 生成 Acetic acid (2R,3R,4R,5R,6R)-3-acetoxy-2-acetoxymethyl-6-[(4aR,6S,7R,8R,8aR)-7-acetylamino-6-methoxy-2-(4-methoxy-phenyl)-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yloxy]-5-(4-nitro-benzyloxycarbonylamino)-tetrahydro-pyran-4-yl ester
  参考文献：
  名称：

  N - p -Nitrobenzyloxycarbonyl galactosamine imidate as a glycosyl donor for the efficient synthesis of mucin core-2 analogue

  摘要：

  An efficient synthesis of the mucin core-2 analogue la was accomplished using N-p-nitrobenzyloxycarbonyl(PNZ)-protected trichloroacetimidate 4 as a novel glycosyl donor. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00107-4