Chem
J-GLOBAL ID：201507021204461762   Nikkaji number：J3.399.838D

4-(2-O,3-O,4-O,6-O-Tetrabenzyl-β-D-glucopyranosyl)benzonitrile

4-(2-O,3-O,4-O,6-O-テトラベンジル-β-D-グルコピラノシル)ベンゾニトリル
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： C41H39NO5
Molecular formula furigana： C41-H39-N-O5
Molecular weight： 625.765
InChI： InChI=1S/C41H39NO5/c42-25-31-21-23-36(24-22-31)38-40(45-28-34-17-9-3-10-18-34)41(46-29-35-19-11-4-12-20-35)39(44-27-33-15-7-2-8-16-33)37(47-38)30-43-26-32-13-5-1-6-14-32/h1-24,37-41H,26-30H2/t37-,38+,39-,40+,41+/m1/s1
InChI key： MDYQKTINIZTVFF-XGLMOPDYSA-N
SMILES： N#Cc1ccc(cc1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Systematic name  (3)：
  • 4-(2-O,3-O,4-O,6-O-テトラベンジル-β-D-グルコピラノシル)ベンゾニトリル
  • 4-[(2S,3S,4R,5R,6R)-3,4,5-トリス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-2-イル]ベンゾニトリル
  • 4-[(2S,3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]benzonitrile
Other name (1)：
  • 4-(2-O,3-O,4-O,6-O-Tetrabenzyl-β-D-glucopyranosyl)benzonitrile
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