Chem
J-GLOBAL ID：201007004261785044   Nikkaji number：J2.811.087A

1-O-[2-[[2,6-Bis[4-(4-pyridinyl)phenylethynyl]phenyl]oxy]ethyl]-β-D-glucopyranose

1-O-[2-[[2,6-ビス[4-(4-ピリジニル)フェニルエチニル]フェニル]オキシ]エチル]-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： C40H34N2O7
Molecular formula furigana： C40-H34-N2-O7
Molecular weight： 654.719
InChI： InChI=1S/C40H34N2O7/c43-26-35-36(44)37(45)38(46)40(49-35)48-25-24-47-39-33(14-8-27-4-10-29(11-5-27)31-16-20-41-21-17-31)2-1-3-34(39)15-9-28-6-12-30(13-7-28)32-18-22-42-23-19-32/h1-7,10-13,16-23,35-38,40,43-46H,24-26H2/t35-,36-,37+,38-,40-/m1/s1
InChI key： BTCXZVIBAMFEQK-DROOIBKBSA-N
SMILES： OC[C@H]1O[C@@H](OCCOc2c(cccc2C#Cc2ccc(cc2)c2ccncc2)C#Cc2ccc(cc2)c2ccncc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 1-O-[2-[[2,6-ビス[4-(4-ピリジニル)フェニルエチニル]フェニル]オキシ]エチル]-β-D-グルコピラノース
  • (2R,3R,4S,5S,6R)-2-{2-[2,6-ビス({2-[4-(ピリジン-4-イル)フェニル]エチニル})フェノキシ]エトキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{2-[2,6-bis({2-[4-(pyridin-4-yl)phenyl]ethynyl})phenoxy]ethoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 1-O-[2-[[2,6-Bis[4-(4-pyridinyl)phenylethynyl]phenyl]oxy]ethyl]-β-D-glucopyranose
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