[(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 | 120818-59-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(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
• CAS: 120818-59-9
• 化学式: C₉₃H₉₈O₁₈
• 分子量: 1503.79
• InChiKey: FHFNSCLEMDKZMY-GYSFBHAOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.7
• 重原子数：
  111
• 可旋转键数：
  39
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  182
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为反应物：
  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 生成 [(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-5-[(2R,3R,4S,5R,6R)-4-hydroxy-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
  参考文献：
  名称：

  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

  摘要：

  DOI：

  10.1016/s0040-4039(00)80845-x
• 作为产物：
  描述：

  2,4,6-Trimethyl-benzoic acid (2R,3R,4S,5R,6R)-2,4-bis-benzyloxy-6-benzyloxymethyl-5-((2S,3R,4S,5S,6R)-3,4-bis-benzyloxy-6-benzyloxymethyl-5-hydroxy-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester 、 3-O-acetyl-2,4,6-tri-O-benzyl-α-D-galactopyranosyl chloride 在 silver trifluoromethanesulfonate 作用下， 以78%的产率得到[(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
  参考文献：
  名称：

  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

  摘要：

  DOI：

  10.1016/s0040-4039(00)80845-x

文献信息

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

  DOI：——

  日期：——