Chem
J-GLOBAL ID：200907080408754856   Nikkaji number：J2.412.649H

4-Nitrophenyl-3-ketovalidamine

4-ニトロフェニル-3-ケトバリダミン
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： C13H16N[N+]O5[O-]
Molecular formula furigana： C13-H16-N2-O6
Molecular weight： 296.279
InChI： InChI=1S/C13H16N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-4,7,10-12,14,16-18H,5-6H2/t7-,10+,11-,12+/m1/s1
InChI key： JYWZXKMMEIJNKK-IGCXTIMSSA-N
SMILES： OC[C@H]1C[C@H](Nc2ccc(cc2)[N+](=O)[O-])[C@H](O)C(=O)[C@@H]1O
Systematic name  (4)：
  • 1-(4-ニトロフェニルアミノ)-3-オキソ-5-ヒドロキシメチル-1,3,5,6-テトラデオキシ-D-chiro-イノシトール
  • 2β,6β-ジヒドロキシ-5α-(ヒドロキシメチル)-3β-(4-ニトロフェニルアミノ)シクロヘキサノン
  • (2R,3R,5S,6S)-2,6-ジヒドロキシ-3-(ヒドロキシメチル)-5-[(4-ニトロフェニル)アミノ]シクロヘキサン-1-オン
  • (2R,3R,5S,6S)-2,6-dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]cyclohexan-1-one
Other name (6)：
  • 1-(4-Nitrophenylamino)-3-oxo-5-hydroxymethyl-1,3,5,6-tetradeoxy-D-chiro-inositol
  • 2β,6β-Dihydroxy-5α-(hydroxymethyl)-3β-(4-nitrophenylamino)cyclohexanone
  • 4-Nitrophenyl-3-ketovalidamine
  • p-Nitrophenyl-3-ketovalidamine
  • N-(4-Nitrophenyl)-3-ketovalidamine
Show all
KEGG COMPOUND： C03995
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