Chem
J-GLOBAL ID：200907035594504605   Nikkaji number：J770.632D

3-O-β-D-Galactopyranosyl-N-(4-nitrophenoxyacetyl)-D-galactosamine

3-O-β-D-ガラクトピラノシル-N-(4-ニトロフェノキシアセチル)-D-ガラクトサミン
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： C20H28N[N+]O13[O-]
Molecular formula furigana： C20-H28-N2-O14
Molecular weight： 520.443
InChI： InChI=1S/C20H28N2O14/c23-5-11(21-14(27)8-34-10-3-1-9(2-4-10)22(32)33)19(15(28)12(26)6-24)36-20-18(31)17(30)16(29)13(7-25)35-20/h1-5,11-13,15-20,24-26,28-31H,6-8H2,(H,21,27)/t11-,12+,13+,15-,16-,17-,18+,19+,20-/m0/s1
InChI key： IEIQJNREHJBHLS-HCAZPFHFSA-N
SMILES： OC[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](NC(=O)COc1ccc(cc1)[N+](=O)[O-])C=O
Systematic name  (3)：
  • 3-O-β-D-ガラクトピラノシル-N-(4-ニトロフェノキシアセチル)-D-ガラクトサミン
  • 2-(4-ニトロフェノキシ)-N-[(2R,3R,4S,5R)-4,5,6-トリヒドロキシ-1-オキソ-3-{[(2R,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}ヘキサン-2-イル]アセトアミド
  • 2-(4-nitrophenoxy)-N-[(2R,3R,4S,5R)-4,5,6-trihydroxy-1-oxo-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl]acetamide
Other name (1)：
  • 3-O-β-D-Galactopyranosyl-N-(4-nitrophenoxyacetyl)-D-galactosamine
Thsaurus map：
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