Chem
J-GLOBAL ID：200907029474758913   Nikkaji number：J1.849.035H

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

1-[2-(3-O-スルホ-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+]O16[O-]S
Molecular formula furigana： C21-H31-N-O17-S
Molecular weight： 601.530
InChI： InChI=1S/C21H31NO17S/c1-9-14(24)16(26)17(27)20(36-9)35-8-12(7-34-11-4-2-10(3-5-11)22(29)30)37-21-18(28)19(39-40(31,32)33)15(25)13(6-23)38-21/h2-5,9,12-21,23-28H,6-8H2,1H3,(H,31,32,33)/t9-,12?,13+,14+,15-,16+,17-,18+,19-,20+,21+/m0/s1
InChI key： XTVYFACXHIRCOI-ZGRWQILGSA-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](OS(=O)(=O)O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • 1-[2-(3-O-スルホ-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
  • [(2R,3S,4S,5R,6R)-3,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-{[1-(4-ニトロフェノキシ)-3-{[(2R,3S,4R,5S,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}プロパン-2-イル]オキシ}オキサン-4-イル]オキシダンスルホン酸
  • [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[1-(4-nitrophenoxy)-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propan-2-yl]oxy}oxan-4-yl]oxidanesulfonic acid
Other name (1)：
  • 1-[2-(3-O-Sulfo-β-D-galactopyranosyloxy)-3-(α-L-fucopyranosyloxy)propoxy]-4-nitrobenzene
Thsaurus map：
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