Chem
J-GLOBAL ID：200907016421940227   Nikkaji number：J1.849.040D

2-(3-O-Sulfo-β-D-galactopyranosyloxy)-3-(4-nitrophenoxy)propyl 3-O,4-O-isopropylidene-α-L-fucopyranoside

2-(3-O-スルホ-β-D-ガラクトピラノシルオキシ)-3-(4-ニトロフェノキシ)プロピル3-O,4-O-イソプロピリデン-α-L-フコピラノシド
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： C24H35[N+]O16[O-]S
Molecular formula furigana： C24-H35-N-O17-S
Molecular weight： 641.590
InChI： InChI=1S/C24H35NO17S/c1-11-19-21(41-24(2,3)40-19)18(29)22(37-11)36-10-14(9-35-13-6-4-12(5-7-13)25(30)31)38-23-17(28)20(42-43(32,33)34)16(27)15(8-26)39-23/h4-7,11,14-23,26-29H,8-10H2,1-3H3,(H,32,33,34)/t11-,14?,15+,16-,17+,18-,19+,20-,21-,22+,23+/m0/s1
InChI key： ZSNGSBCVBMSCRU-WVOYAPJDSA-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]2OC(C)(C)O[C@H]12
Systematic name  (3)：
  • 2-(3-O-スルホ-β-D-ガラクトピラノシルオキシ)-3-(4-ニトロフェノキシ)プロピル3-O,4-O-イソプロピリデン-α-L-フコピラノシド
  • [(2R,3R,4S,5S,6R)-2-[(1-{[(3aR,4S,6R,7S,7aS)-7-ヒドロキシ-2,2,4-トリメチル-ヘキサヒドロ-[1,3]ジオキソロ[4,5-c]ピラン-6-イル]オキシ}-3-(4-ニトロフェノキシ)プロパン-2-イル)オキシ]-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシダンスルホン酸
  • [(2R,3R,4S,5S,6R)-2-[(1-{[(3aR,4S,6R,7S,7aS)-7-hydroxy-2,2,4-trimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy}-3-(4-nitrophenoxy)propan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
Other name (1)：
  • 2-(3-O-Sulfo-β-D-galactopyranosyloxy)-3-(4-nitrophenoxy)propyl 3-O,4-O-isopropylidene-α-L-fucopyranoside
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