Chem
J-GLOBAL ID:200907000949230600   Nikkaji number:J1.118.678E

3-(2,4-Dinitroanilino)propyl 2-O,3-O,6-O-triacetyl-β-D-glucopyranoside

3-(2,4-ジニトロアニリノ)プロピル2-O,3-O,6-O-トリアセチル-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: C21H27N[N+]2O11[O-]2
Molecular formula furigana: C21-H27-N3-O13
Molecular weight: 529.455
InChI: InChI=1S/C21H27N3O13/c1-11(25)34-10-17-18(28)19(35-12(2)26)20(36-13(3)27)21(37-17)33-8-4-7-22-15-6-5-14(23(29)30)9-16(15)24(31)32/h5-6,9,17-22,28H,4,7-8,10H2,1-3H3/t17-,18-,19+,20-,21-/m1/s1
InChI key: HJLSXTQXZMRCFG-YMQHIKHWSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](OCCCNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O
Systematic name  (3):
  • 3-(2,4-ジニトロアニリノ)プロピル2-O,3-O,6-O-トリアセチル-β-D-グルコピラノシド
  • [(2R,3R,4S,5R,6R)-4,5-ビス(アセチルオキシ)-6-{3-[(2,4-ジニトロフェニル)アミノ]プロポキシ}-3-ヒドロキシオキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6R)-4,5-bis(acetyloxy)-6-{3-[(2,4-dinitrophenyl)amino]propoxy}-3-hydroxyoxan-2-yl]methyl acetate
Other name (1):
  • 3-(2,4-Dinitroanilino)propyl 2-O,3-O,6-O-triacetyl-β-D-glucopyranoside
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