[(3R,4S,5R,6R)-2,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl] 2,4,6-trimethylbenzoate | 120818-60-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(3R,4S,5R,6R)-2,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl] 2,4,6-trimethylbenzoate
• CAS: 120818-60-2
• 化学式: C₄₈H₆₂O₂₇
• 分子量: 1071.0
• InChiKey: AHSLCGLJQAPOFO-TZJMRJCKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  75
• 可旋转键数：
  30
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  335
• 氢给体数：
  0
• 氢受体数：
  27

反应信息

• 作为反应物：
  描述：

  [(3R,4S,5R,6R)-2,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl] 2,4,6-trimethylbenzoate 生成 [(2S,3R,4S,5R,6R)-4-acetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 2,4,6-trimethylbenzoate
  参考文献：
  名称：

  NUNOMURA, SHIGEKI;OGAWA, TOMOYA, TETRAHEDRON LETT., 29,(1988) N 44, C. 5681-5684

  摘要：

  DOI：
• 作为产物：
  描述：

  [(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-acetyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] 2,4,6-trimethylbenzoate 、 乙酸酐 生成 [(3R,4S,5R,6R)-2,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl] 2,4,6-trimethylbenzoate
  参考文献：
  名称：

  NUNOMURA, SHIGEKI;OGAWA, TOMOYA, TETRAHEDRON LETT., 29,(1988) N 44, C. 5681-5684

  摘要：

  DOI：

文献信息

• A total synthesis of a stage specific embryonic antigen-3 (SSEA-3), globopentaosyl ceramide, IV3GalGb4Cer. Use of 2,4,6-trimethylbenzoyl group as a stereocontrolling auxiliary
  作者：Shigeki Nunomura、Tomoya Ogawa

  DOI：10.1016/s0040-4039(00)80845-x

  日期：1988.1