Chem
J-GLOBAL ID：200907077760427309   Nikkaji number：J787.561D

p-Nitropheny ltri-N-acetyl-β-chitotrioside

p-ニトロフェニルトリ-N-アセチル-β-キトトリオシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H44N3[N+]O17[O-]
Molecular formula furigana： C30-H44-N4-O18
Molecular weight： 748.692
InChI： InChI=1S/C30H44N4O18/c1-11(38)31-19-23(42)22(41)16(8-35)48-29(19)51-27-18(10-37)50-30(21(25(27)44)33-13(3)40)52-26-17(9-36)49-28(20(24(26)43)32-12(2)39)47-15-6-4-14(5-7-15)34(45)46/h4-7,16-30,35-37,41-44H,8-10H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+/m1/s1
InChI key： UWYYAJFSFHIFNY-WPSUWJFCSA-N
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](O)[C@@H](NC(=O)C)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](Oc3ccc(cc3)[N+](=O)[O-])O[C@@H]2CO)O[C@@H]1CO
Systematic name  (5)：
  • 4-ニトロフェニル4-O-[4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
  • 4-ニトロフェニル2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシド
  • p-ニトロフェニル2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシド
  • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-アセトアミド-6-{[(2R,3S,4R,5R,6S)-5-アセトアミド-4-ヒドロキシ-2-(ヒドロキシメチル)-6-(4-ニトロフェノキシ)オキサン-3-イル]オキシ}-4-ヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]アセトアミド
  • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-6-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Other name (5)：
  • p-ニトロフェニルトリ-N-アセチル-β-キトトリオシド
  • p-Nitropheny ltri-N-acetyl-β-chitotrioside
  • 4-Nitrophenyl 4-O-[4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranoside
  • 4-Nitrophenyl 2-(acetylamino)-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranoside
  • p-Nitrophenyl 2-(acetylamino)-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranoside
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