Chem
J-GLOBAL ID：200907005655473477   Nikkaji number：J2.016.447F

1-O-(4-Nitrophenyl)-6-O-(sodiooxysulfonyl)-β-D-glucopyranose

1-O-(4-ニトロフェニル)-6-O-(ソジオオキシスルホニル)-β-D-グルコピラノース
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： C12H14[N+]NaO10[O-]S
Molecular formula furigana： C12-H14-N-NA-O11-S
Molecular weight： 403.290
InChI： InChI=1S/C12H15NO11S.Na/c14-9-8(5-22-25(19,20)21)24-12(11(16)10(9)15)23-7-3-1-6(2-4-7)13(17)18;/h1-4,8-12,14-16H,5H2,(H,19,20,21);/q;+1/p-1/t8-,9-,10+,11-,12-;/m1./s1
InChI key： ZMOQXKUZRXJQHA-ZIJVCQRQSA-M
SMILES： O[C@H]1[C@H](O)[C@@H](COS(=O)(=O)O[Na])O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]1O
Systematic name  (3)：
  • 1-O-(4-ニトロフェニル)-6-O-(ソジオオキシスルホニル)-β-D-グルコピラノース
  • ナトリウム [(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-(4-ニトロフェノキシ)オキサン-2-イル]メチル スルファート
  • sodium [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methyl sulfate
Other name (1)：
  • 1-O-(4-Nitrophenyl)-6-O-(sodiooxysulfonyl)-β-D-glucopyranose
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