Chem
J-GLOBAL ID：200907000314136500   Nikkaji number：J1.624.687E

2-[[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyloxy]methyl]-4-nitrophenyl β-D-galactopyranoside

2-[[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシルオキシ]メチル]-4-ニトロフェニルβ-D-ガラクトピラノシド
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： C21H30N[N+]O13[O-]
Molecular formula furigana： C21-H30-N2-O14
Molecular weight： 534.471
InChI： InChI=1S/C21H30N2O14/c1-8(26)22-14-17(29)15(27)12(5-24)36-20(14)34-7-9-4-10(23(32)33)2-3-11(9)35-21-19(31)18(30)16(28)13(6-25)37-21/h2-4,12-21,24-25,27-31H,5-7H2,1H3,(H,22,26)/t12-,13-,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1
InChI key： LOEJWECHOUUDIX-AZOGQYIJSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCc1cc(ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[N+](=O)[O-]
Systematic name  (4)：
  • 1-(β-D-ガラクトピラノシルオキシ)-2-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシルオキシメチル]-4-ニトロベンゼン
  • 2-[[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシルオキシ]メチル]-4-ニトロフェニルβ-D-ガラクトピラノシド
  • N-[(2R,3R,4R,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-2-[(5-ニトロ-2-{[(2S,3R,4S,5R,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}フェニル)メトキシ]オキサン-3-イル]アセトアミド
  • N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(5-nitro-2-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]oxan-3-yl]acetamide
Other name (2)：
  • 1-(β-D-Galactopyranosyloxy)-2-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyloxymethyl]-4-nitrobenzene
  • 2-[[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyloxy]methyl]-4-nitrophenyl β-D-galactopyranoside
Thsaurus map：
Thesaurus Map

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