Chem
J-GLOBAL ID:200907027642154694   Nikkaji number:J1.657.041I

Methyl 2-(2-hydroxyethyl)-3-O,6-O-bis(α-D-mannopyranosyl)-2-deoxy-α-D-mannopyranoside

メチル2-(2-ヒドロキシエチル)-3-O,6-O-ビス(α-D-マンノピラノシル)-2-デオキシ-α-D-マンノピラノシド
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: C21H38O16
Molecular formula furigana: C21-H38-O16
Molecular weight: 546.519
InChI: InChI=1S/C21H38O16/c1-32-19-7(2-3-22)18(37-21-17(31)15(29)12(26)9(5-24)35-21)13(27)10(36-19)6-33-20-16(30)14(28)11(25)8(4-23)34-20/h7-31H,2-6H2,1H3/t7-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17-,18+,19-,20-,21+/m0/s1
InChI key: LGYWXETWZWMALR-AGYLTUFJSA-N
SMILES: CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1CCO
Systematic name  (3):
  • メチル2-(2-ヒドロキシエチル)-3-O,6-O-ビス(α-D-マンノピラノシル)-2-デオキシ-α-D-マンノピラノシド
  • (2S,3S,4S,5S,6R)-2-{[(2R,3S,4R,5S,6S)-3-ヒドロキシ-5-(2-ヒドロキシエチル)-6-メトキシ-4-{[(2S,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]メトキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3S,4S,5S,6R)-2-{[(2R,3S,4R,5S,6S)-3-hydroxy-5-(2-hydroxyethyl)-6-methoxy-4-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1):
  • Methyl 2-(2-hydroxyethyl)-3-O,6-O-bis(α-D-mannopyranosyl)-2-deoxy-α-D-mannopyranoside
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