Chem
J-GLOBAL ID：200907071298873197   Nikkaji number：J1.615.012F

4-Nitrophenyl 4-O-[4-O-(β-D-mannopyranosyl)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranoside

4-ニトロフェニル4-O-[4-O-(β-D-マンノピラノシル)-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
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： C28H41N2[N+]O17[O-]
Molecular formula furigana： C28-H41-N3-O18
Molecular weight： 707.639
InChI： InChI=1S/C28H41N3O18/c1-10(35)29-17-20(38)24(15(8-33)46-26(17)44-13-5-3-12(4-6-13)31(42)43)48-27-18(30-11(2)36)21(39)25(16(9-34)47-27)49-28-23(41)22(40)19(37)14(7-32)45-28/h3-6,14-28,32-34,37-41H,7-9H2,1-2H3,(H,29,35)(H,30,36)/t14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27+,28+/m1/s1
InChI key： WEUHNSJIGXNXTJ-ACOOANCESA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](Oc2ccc(cc2)[N+](=O)[O-])O[C@@H]1CO
Systematic name  (3)：
  • 4-ニトロフェニル4-O-[4-O-(β-D-マンノピラノシル)-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
  • N-[(2S,3R,4R,5S,6R)-2-{[(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-6-(ヒドロキシメチル)-5-{[(2S,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}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-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
Other name (1)：
  • 4-Nitrophenyl 4-O-[4-O-(β-D-mannopyranosyl)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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