Chem
J-GLOBAL ID：200907047516013407
Nikkaji number：J2.345.024K
1-[3-(4-Nitrophenyl)-1,2,4-oxadiazole-5-yl]-1-deoxy-β-D-glucopyranose tetrabenzoate
1-[3-(4-ニトロフェニル)-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 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
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
Molecular formula： C42H31N2[N+]O11[O-]
Molecular formula furigana： C42-H31-N3-O12
Molecular weight： 769.719
InChI：
InChI=1S/C42H31N3O12/c46-39(27-13-5-1-6-14-27)52-25-32-33(54-40(47)28-15-7-2-8-16-28)34(55-41(48)29-17-9-3-10-18-29)35(56-42(49)30-19-11-4-12-20-30)36(53-32)38-43-37(44-57-38)26-21-23-31(24-22-26)45(50)51/h1-24,32-36H,25H2/t32-,33-,34+,35-,36-/m1/s1
InChI key：
IMZFBPUOESBEDZ-SQGINLDNSA-N
SMILES：
[O-][N+](=O)c1ccc(cc1)c1noc(n1)[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Systematic name (3)：
- 1-[3-(4-ニトロフェニル)-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)-3,4,5-トリス(ベンゾイルオキシ)-6-[3-(4-ニトロフェニル)-1,2,4-オキサジアゾール-5-イル]オキサン-2-イル]メチル ベンゾアート
- [(2R,3R,4S,5R,6R)-3,4,5-tris(benzoyloxy)-6-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]oxan-2-yl]methyl benzoate
- 1-[3-(4-Nitrophenyl)-1,2,4-oxadiazole-5-yl]-1-deoxy-β-D-glucopyranose tetrabenzoate
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