Chem
J-GLOBAL ID：201607012982555438   Nikkaji number：J3.485.433E

3′-Chloro-4′-(α-D-mannopyranosyloxy)-1,1′-biphenyl-4-carbonitrile

3′-クロロ-4′-(α-D-マンノピラノシルオキシ)-1,1′-ビフェニル-4-カルボニトリル
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： C19H18ClNO6
Molecular formula furigana： C19-H18-CL-N-O6
Molecular weight： 391.800
InChI： InChI=1S/C19H18ClNO6/c20-13-7-12(11-3-1-10(8-21)2-4-11)5-6-14(13)26-19-18(25)17(24)16(23)15(9-22)27-19/h1-7,15-19,22-25H,9H2/t15-,16-,17+,18+,19+/m1/s1
InChI key： NJQGFQIHQPLUNX-GFEQUFNTSA-N
SMILES： OC[C@H]1O[C@H](Oc2ccc(cc2Cl)c2ccc(cc2)C#N)[C@@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 3′-クロロ-4′-(α-D-マンノピラノシルオキシ)-1,1′-ビフェニル-4-カルボニトリル
  • 3'-クロロ-4'-{[(2R,3S,4S,5S,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}-[1,1'-ビフェニル]-4-カルボニトリル
  • 3'-chloro-4'-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-4-carbonitrile
Other name (1)：
  • 3′-Chloro-4′-(α-D-mannopyranosyloxy)-1,1′-biphenyl-4-carbonitrile
Thsaurus map：
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