Chem
J-GLOBAL ID：200907076321177600   Nikkaji number：J1.366.607E

2,6-Dinitrobenzyl β-D-glucuronide

2,6-ジニトロベンジルβ-D-グルクロニド
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： C13H14[N+]2O9[O-]2
Molecular formula furigana： C13-H14-N2-O11
Molecular weight： 374.258
InChI： InChI=1S/C13H14N2O11/c16-8-9(17)11(12(19)20)26-13(10(8)18)25-4-5-6(14(21)22)2-1-3-7(5)15(23)24/h1-3,8-11,13,16-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13+/m0/s1
InChI key： DUKJFYQWMFYNLN-XPORZQOISA-N
SMILES： O[C@@H]1[C@@H](O)[C@H](OCc2c(cccc2[N+](=O)[O-])[N+](=O)[O-])O[C@@H]([C@H]1O)C(=O)O
Systematic name  (3)：
  • 2,6-ジニトロベンジルβ-D-グルクロニド
  • (2S,3S,4S,5R,6R)-6-[(2,6-ジニトロフェニル)メトキシ]-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-[(2,6-dinitrophenyl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (1)：
  • 2,6-Dinitrobenzyl β-D-glucuronide
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