5-O-acetyl-1,2-O-isopropylidene-3-S-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-6-S-(2,3,4-tri-O-acetyl-6-deoxy-6-iodo-β-D-glucopyranosyl)-3,6-dithio-α-D-glucofuranose | 225660-06-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-O-acetyl-1,2-O-isopropylidene-3-S-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-6-S-(2,3,4-tri-O-acetyl-6-deoxy-6-iodo-β-D-glucopyranosyl)-3,6-dithio-α-D-glucofuranose
• 英文别名: [(2R,3R,4S,5R,6S)-6-[[(3aR,5R,6S,6aS)-5-[(1S)-1-acetyloxy-2-[(2S,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-(iodomethyl)oxan-2-yl]sulfanylethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]sulfanyl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
• CAS: 225660-06-0
• 化学式: C₃₇H₅₁IO₂₁S₂
• 分子量: 1022.84
• InChiKey: BEFHEGCSIVHXBG-PURUFWKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  61
• 可旋转键数：
  24
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  307
• 氢给体数：
  0
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  5-O-acetyl-1,2-O-isopropylidene-3-S-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-6-S-(2,3,4-tri-O-acetyl-6-deoxy-6-iodo-β-D-glucopyranosyl)-3,6-dithio-α-D-glucofuranose 、 Sodium; (2S,3R,4S,5R,6S)-3,5-dihydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylsulfanyl)-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylsulfanylmethyl)-tetrahydro-pyran-2-thiolate 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  S-Linked Thiomimetics of Phytoalexin-Elicitor-Active, Branched Oligosaccharides, Their Synthesis, Protein-Binding Ability and Phytoalexin-Inducing Activity

  摘要：

  DOI：

  10.1002/(sici)1099-0690(199905)1999:5<1143::aid-ejoc1143>3.0.co;2-u
• 作为产物：
  描述：

  5-O-acetyl-1,2-O-isopropylidene-3-S-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-6-S-(2,3,4-tri-O-acetyl-6-O-methoxytrityl-β-D-glucopyranosyl)-3,6-dithio-α-D-glucofuranose 在 2,6-di-tert-butyl-4-methyl piperidine 、 四丁基碘化铵 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 5.75h， 生成 5-O-acetyl-1,2-O-isopropylidene-3-S-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-6-S-(2,3,4-tri-O-acetyl-6-deoxy-6-iodo-β-D-glucopyranosyl)-3,6-dithio-α-D-glucofuranose
  参考文献：
  名称：

  S-Linked Thiomimetics of Phytoalexin-Elicitor-Active, Branched Oligosaccharides, Their Synthesis, Protein-Binding Ability and Phytoalexin-Inducing Activity

  摘要：

  DOI：

  10.1002/(sici)1099-0690(199905)1999:5<1143::aid-ejoc1143>3.0.co;2-u