Chem
J-GLOBAL ID:200907050029006323   Nikkaji number:J1.425.334C

1-O,2-O-(Oxylatophosphinylidene)-6-O-[4-O-[6-O-[2-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]-α-D-mannopyranosyl]-2-amino-2-deoxy-α-D-glucopyranosyl]-D-myo-inositol

1-O,2-O-(オキシラトホスフィニリデン)-6-O-[4-O-[6-O-[2-O-(α-D-マンノピラノシル)-α-D-マンノピラノシル]-α-D-マンノピラノシル]-2-アミノ-2-デオキシ-α-D-グルコピラノシル]-D-myo-イノシトール
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: C30H51NO26[O-]P
Molecular formula furigana: C30-H51-N-O27-P
Molecular weight: 888.692
InChI: InChI=1S/C30H52NO27P/c31-9-13(38)22(7(3-34)52-27(9)55-23-18(43)16(41)19(44)24-26(23)58-59(47,48)57-24)54-29-21(46)15(40)12(37)8(53-29)4-49-30-25(17(42)11(36)6(2-33)51-30)56-28-20(45)14(39)10(35)5(1-32)50-28/h5-30,32-46H,1-4,31H2,(H,47,48)/p-1/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18+,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29-,30+/m1/s1
InChI key: HHRJWDGHXNHCOI-APENDNKDSA-M
SMILES: N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H]2OP(=O)([O-])O[C@@H]2[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 1-O,2-O-(オキシラトホスフィニリデン)-6-O-[4-O-[6-O-[2-O-(α-D-マンノピラノシル)-α-D-マンノピラノシル]-α-D-マンノピラノシル]-2-アミノ-2-デオキシ-α-D-グルコピラノシル]-D-myo-イノシトール
  • (3aS,4R,5S,6S,7R,7aR)-4-{[(2R,3R,4R,5S,6R)-3-アミノ-5-{[(2R,3S,4S,5S,6R)-6-({[(2S,3S,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2R,3S,4S,5S,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}オキサン-2-イル]オキシ}メチル)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-4-ヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-5,6,7-トリヒドロキシ-2-オキソ-ヘキサヒドロ-2H-1,3,2λ5-ベンゾジオキサホスホール-2-オラート
  • (3aS,4R,5S,6S,7R,7aR)-4-{[(2R,3R,4R,5S,6R)-3-amino-5-{[(2R,3S,4S,5S,6R)-6-({[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7-trihydroxy-2-oxo-hexahydro-2H-1,3,2λ5-benzodioxaphosphol-2-olate
Other name (1):
  • 1-O,2-O-(Oxylatophosphinylidene)-6-O-[4-O-[6-O-[2-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]-α-D-mannopyranosyl]-2-amino-2-deoxy-α-D-glucopyranosyl]-D-myo-inositol
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