Acetic acid (2S,3R,4R,5S,6S)-4,5-diacetoxy-2-[(2S,3R,4R,5S,6S)-2-((2R,3R,4R,5S,6S)-3-allyloxy-5-benzyloxy-2-methoxy-6-methyl-tetrahydro-pyran-4-yloxy)-5-benzyloxy-4-methoxy-6-methyl-tetrahydro-pyran-3-yloxy]-6-methyl-tetrahydro-pyran-3-yl ester | 192325-14-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Acetic acid (2S,3R,4R,5S,6S)-4,5-diacetoxy-2-[(2S,3R,4R,5S,6S)-2-((2R,3R,4R,5S,6S)-3-allyloxy-5-benzyloxy-2-methoxy-6-methyl-tetrahydro-pyran-4-yloxy)-5-benzyloxy-4-methoxy-6-methyl-tetrahydro-pyran-3-yloxy]-6-methyl-tetrahydro-pyran-3-yl ester
• 英文别名: Rha2Ac3Ac4Ac(a1-2)[Bn(-4)]Rha3Me(a1-3)[allyl(-2)][Bn(-4)]a-Rha1Me；[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[(2S,3R,4R,5S,6S)-4-methoxy-2-[(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-3-prop-2-enoxyoxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate
• CAS: 192325-14-7
• 化学式: C₄₃H₅₈O₁₆
• 分子量: 830.924
• InChiKey: OQCOCKKETNKQTI-HOYZVVMFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  59
• 可旋转键数：
  21
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  171
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  Acetic acid (2S,3R,4R,5S,6S)-4,5-diacetoxy-2-[(2S,3R,4R,5S,6S)-2-((2R,3R,4R,5S,6S)-3-allyloxy-5-benzyloxy-2-methoxy-6-methyl-tetrahydro-pyran-4-yloxy)-5-benzyloxy-4-methoxy-6-methyl-tetrahydro-pyran-3-yloxy]-6-methyl-tetrahydro-pyran-3-yl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 (2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5S,6S)-2-((2R,3R,4R,5S,6S)-3-Allyloxy-5-benzyloxy-2-methoxy-6-methyl-tetrahydro-pyran-4-yloxy)-5-benzyloxy-4-methoxy-6-methyl-tetrahydro-pyran-3-yloxy]-6-methyl-tetrahydro-pyran-3,4,5-triol
  参考文献：
  名称：

  Synthesis of the unique terminal branched tetrasaccharide of Mycobacterium gordonae strain 990

  摘要：

  Mycobacterium gordonae strain 990 contains a unique oligosaccharide with branched sugar residue. A novel synthesis of the terminal tetrasaccharide-methyl 3-O-[3-O-methyl-2-O(alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranosyl]-2-O-(beta-D-xylopyranosyl)-alpha-L-rhamnopyranoside has been described. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00532-2
• 作为产物：
  描述：

  Acetic acid (2S,3R,4R,5S,6S)-2-((2R,3R,4R,5S,6S)-3-allyloxy-5-benzyloxy-2-methoxy-6-methyl-tetrahydro-pyran-4-yloxy)-5-benzyloxy-4-methoxy-6-methyl-tetrahydro-pyran-3-yl ester 在 三氟化硼乙醚 、 sodium methylate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 Acetic acid (2S,3R,4R,5S,6S)-4,5-diacetoxy-2-[(2S,3R,4R,5S,6S)-2-((2R,3R,4R,5S,6S)-3-allyloxy-5-benzyloxy-2-methoxy-6-methyl-tetrahydro-pyran-4-yloxy)-5-benzyloxy-4-methoxy-6-methyl-tetrahydro-pyran-3-yloxy]-6-methyl-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Synthesis of the unique terminal branched tetrasaccharide of Mycobacterium gordonae strain 990

  摘要：

  Mycobacterium gordonae strain 990 contains a unique oligosaccharide with branched sugar residue. A novel synthesis of the terminal tetrasaccharide-methyl 3-O-[3-O-methyl-2-O(alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranosyl]-2-O-(beta-D-xylopyranosyl)-alpha-L-rhamnopyranoside has been described. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00532-2