Chem
J-GLOBAL ID：200907050561105364   Nikkaji number：J2.345.023B

1-(3-Phenyl-1,2,4-oxadiazole-5-yl)-1-deoxy-β-D-glucopyranose tetrabenzoate

1-(3-フェニル-1,2,4-オキサジアゾール-5-イル)-1-デオキシ-β-D-グルコピラノーステトラベンゾアート
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： C42H32N2O10
Molecular formula furigana： C42-H32-N2-O10
Molecular weight： 724.722
InChI： InChI=1S/C42H32N2O10/c45-39(28-18-8-2-9-19-28)49-26-32-33(51-40(46)29-20-10-3-11-21-29)34(52-41(47)30-22-12-4-13-23-30)35(53-42(48)31-24-14-5-15-25-31)36(50-32)38-43-37(44-54-38)27-16-6-1-7-17-27/h1-25,32-36H,26H2/t32-,33-,34+,35-,36-/m1/s1
InChI key： RBKPRSSRKUKMRC-SQGINLDNSA-N
SMILES： O=C(OC[C@H]1O[C@H]([C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1nc(no1)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 1-(3-フェニル-1,2,4-オキサジアゾール-5-イル)-1-デオキシ-β-D-グルコピラノーステトラベンゾアート
  • (2R,3R,4S,5R,6R)-4,5-ビス(ベンゾイルオキシ)-6-[(ベンゾイルオキシ)メチル]-2-(3-フェニル-1,2,4-オキサジアゾール-5-イル)オキサン-3-イル ベンゾアート
  • (2R,3R,4S,5R,6R)-4,5-bis(benzoyloxy)-6-[(benzoyloxy)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-3-yl benzoate
Other name (1)：
  • 1-(3-Phenyl-1,2,4-oxadiazole-5-yl)-1-deoxy-β-D-glucopyranose tetrabenzoate
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