Chem
J-GLOBAL ID：200907067815739288   Nikkaji number：J1.152.452D

4-Nitrophenyl 4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-(acetylamino)-2-deoxy-β-D-glucopyranoside

4-ニトロフェニル4-O-(2-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： C20H29N2[N+]O11[O-]
Molecular formula furigana： C20-H29-N3-O12
Molecular weight： 503.461
InChI： InChI=1S/C20H29N3O12/c1-8(26)22-14-17(29)18(35-19-13(21)16(28)15(27)11(6-24)33-19)12(7-25)34-20(14)32-10-4-2-9(3-5-10)23(30)31/h2-5,11-20,24-25,27-29H,6-7,21H2,1H3,(H,22,26)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,20-/m1/s1
InChI key： XWBZMNPPEDDGFJ-GZDRNHDFSA-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]2N)[C@@H](CO)O[C@H]1Oc1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 4-ニトロフェニル4-O-(2-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)-5-{[(2S,3R,4R,5S,6R)-3-アミノ-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4-ヒドロキシ-6-(ヒドロキシメチル)-2-(4-ニトロフェノキシ)オキサン-3-イル]アセトアミド
  • N-[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide
Other name (1)：
  • 4-Nitrophenyl 4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-(acetylamino)-2-deoxy-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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