Chem
J-GLOBAL ID：201107039566030812
Nikkaji number：J2.957.932F
2-Nitro-3-O,4-O-dibenzyl-1,2-didehydro-1,2-dideoxy-D-glucopyranuronic acid methyl ester
2-ニトロ-3-O,4-O-ジベンジル-1,2-ジデヒドロ-1,2-ジデオキシ-D-グルコピラヌロン酸メチル
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： C21H21[N+]O6[O-]
Molecular formula furigana： C21-H21-N-O7
Molecular weight： 399.399
InChI：
InChI=1S/C21H21NO7/c1-26-21(23)20-19(28-13-16-10-6-3-7-11-16)18(17(14-29-20)22(24)25)27-12-15-8-4-2-5-9-15/h2-11,14,18-20H,12-13H2,1H3/t18-,19+,20+/m1/s1
InChI key：
IEHJUDCBWCZSOP-AABGKKOBSA-N
SMILES：
COC(=O)[C@H]1OC=C([C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)[N+](=O)[O-]
Systematic name (3)：
- 2-ニトロ-3-O,4-O-ジベンジル-1,2-ジデヒドロ-1,2-ジデオキシ-D-グルコピラヌロン酸メチル
- メチル (2S,3S,4R)-3,4-ビス(ベンジルオキシ)-5-ニトロ-3,4-ジヒドロ-2H-ピラン-2-カルボキシラート
- methyl (2S,3S,4R)-3,4-bis(benzyloxy)-5-nitro-3,4-dihydro-2H-pyran-2-carboxylate
- 2-Nitro-3-O,4-O-dibenzyl-1,2-didehydro-1,2-dideoxy-D-glucopyranuronic acid methyl ester
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