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HIT212100376
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HIT212100376
  • HIT ID:HIT212100376
  • Cas No:53643-12-2
  • 常用名:4-Methylumbelliferyl β-D-N,N'-diacetylchitobioside
    常用名:4-Methylumbelliferyl β-D-N,N'-diacetylchitobioside
  • IUPAC:N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
    IUPAC:N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • InChI key:UPSFMJHZUCSEHU-JYGUBCOQSA-N
  • 分子式:C26H34N2O13
  • 分子量:582.559
  • 氢键供体数 (HBD):7
  • 氢键受体数 (HBA):12
  • LogP:-2.8357852
  • SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](NC(C)=O)[C@H]1O
    SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](NC(C)=O)[C@H]1O
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