4-((2S,3R,4R,5S,6S)-3,5-Dihydroxy-4-methoxy-6-methyl-tetrahydro-pyran-2-yloxy)-3-iodo-5,6-dimethoxy-2-methyl-thiobenzoic acid S-((2R,3S,4S,6S)-4-hydroxy-6-methoxy-2-methyl-tetrahydro-pyran-3-yl) ester | 108212-90-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-((2S,3R,4R,5S,6S)-3,5-Dihydroxy-4-methoxy-6-methyl-tetrahydro-pyran-2-yloxy)-3-iodo-5,6-dimethoxy-2-methyl-thiobenzoic acid S-((2R,3S,4S,6S)-4-hydroxy-6-methoxy-2-methyl-tetrahydro-pyran-3-yl) ester
• 英文别名: S-[(2R,3S,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate
• CAS: 108212-90-4
• 化学式: C₂₄H₃₅IO₁₁S
• 分子量: 658.506
• InChiKey: UBFYKIAACUWHLL-WHHARWRFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  168
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  calicheamicin γ₁ 在 Dowex 50W-XB 作用下， 以 甲醇 为溶剂， 生成 4-((2S,3R,4R,5S,6S)-3,5-Dihydroxy-4-methoxy-6-methyl-tetrahydro-pyran-2-yloxy)-3-iodo-5,6-dimethoxy-2-methyl-thiobenzoic acid S-((2R,3S,4S,6S)-4-hydroxy-6-methoxy-2-methyl-tetrahydro-pyran-3-yl) ester 、 4-Hydroxy-3-iodo-5,6-dimethoxy-2-methyl-thiobenzoic acid S-((2R,3S,4S,6S)-4-hydroxy-6-methoxy-2-methyl-tetrahydro-pyran-3-yl) ester 、 、 4-((2S,3R,4R,5S,6S)-3,5-Dihydroxy-4-methoxy-6-methyl-tetrahydro-pyran-2-yloxy)-3-iodo-5,6-dimethoxy-2-methyl-thiobenzoic acid S-((2R,3S,4S,6R)-4-hydroxy-6-methoxy-2-methyl-tetrahydro-pyran-3-yl) ester
  参考文献：
  名称：

  Calichemicins, a novel family of antitumor antibiotics. 1. Chemistry and partial structure of calichemicin .gamma.1I

  摘要：

  DOI：

  10.1021/ja00245a050