Chem
J-GLOBAL ID：200907044718485328   Nikkaji number：J1.849.036F

1-[2-(β-D-Galactopyranosyloxy)-3-(α-L-fucopyranosyloxy)propoxy]-4-nitrobenzene

1-[2-(β-D-ガラクトピラノシルオキシ)-3-(α-L-フコピラノシルオキシ)プロポキシ]-4-ニトロベンゼン
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： C21H31[N+]O13[O-]
Molecular formula furigana： C21-H31-N-O14
Molecular weight： 521.472
InChI： InChI=1S/C21H31NO14/c1-9-14(24)16(26)18(28)20(34-9)33-8-12(7-32-11-4-2-10(3-5-11)22(30)31)35-21-19(29)17(27)15(25)13(6-23)36-21/h2-5,9,12-21,23-29H,6-8H2,1H3/t9-,12?,13+,14+,15-,16+,17-,18-,19+,20+,21+/m0/s1
InChI key： IJJXHIXGLUWDMS-MKAMPQQUSA-N
SMILES： C[C@@H]1O[C@@H](OCC(COc2ccc(cc2)[N+](=O)[O-])O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • 1-[2-(β-D-ガラクトピラノシルオキシ)-3-(α-L-フコピラノシルオキシ)プロポキシ]-4-ニトロベンゼン
  • (2S,3S,4R,5S,6R)-2-メチル-6-[3-(4-ニトロフェノキシ)-2-{[(2R,3R,4S,5R,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}プロポキシ]オキサン-3,4,5-トリオール
  • (2S,3S,4R,5S,6R)-2-methyl-6-[3-(4-nitrophenoxy)-2-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propoxy]oxane-3,4,5-triol
Other name (1)：
  • 1-[2-(β-D-Galactopyranosyloxy)-3-(α-L-fucopyranosyloxy)propoxy]-4-nitrobenzene
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