Chem
J-GLOBAL ID:200907049282228245   Nikkaji number:J2.736.154D

1-(3-Cyano-4-amino-5-benzoyl-2-thienylthio)-2-O,3-O,4-O,6-O-tetraacetyl-1-deoxy-β-D-glucopyranose

1-(3-シアノ-4-アミノ-5-ベンゾイル-2-チエニルチオ)-2-O,3-O,4-O,6-O-テトラアセチル-1-デオキシ-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: C26H26N2O10S2
Molecular formula furigana: C26-H26-N2-O10-S2
Molecular weight: 590.620
InChI: InChI=1S/C26H26N2O10S2/c1-12(29)34-11-18-21(35-13(2)30)22(36-14(3)31)23(37-15(4)32)25(38-18)40-26-17(10-27)19(28)24(39-26)20(33)16-8-6-5-7-9-16/h5-9,18,21-23,25H,11,28H2,1-4H3/t18-,21-,22+,23-,25+/m1/s1
InChI key: YVZZWBKRMPTXRU-FLYQRFDZSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](Sc2sc(C(=O)c3ccccc3)c(N)c2C#N)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • 1-(3-シアノ-4-アミノ-5-ベンゾイル-2-チエニルチオ)-2-O,3-O,4-O,6-O-テトラアセチル-1-デオキシ-β-D-グルコピラノース
  • [(2R,3R,4S,5R,6S)-3,4,5-トリス(アセチルオキシ)-6-[(4-アミノ-5-ベンゾイル-3-シアノチオフェン-2-イル)スルファニル]オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-[(4-amino-5-benzoyl-3-cyanothiophen-2-yl)sulfanyl]oxan-2-yl]methyl acetate
Other name (1):
  • 1-(3-Cyano-4-amino-5-benzoyl-2-thienylthio)-2-O,3-O,4-O,6-O-tetraacetyl-1-deoxy-β-D-glucopyranose
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