Chem
J-GLOBAL ID:200907026898927422   Nikkaji number:J2.509.881A

3-Deoxy-3-(4-methylbenzylthio)-α-D-glucopyranose-D-glucitol-1,4:2,3-dianhydride

3-デオキシ-3-(4-メチルベンジルチオ)-α-D-グルコピラノース-D-グルシトール-1,4:2,3-ジアンヒドリド
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: C20H30O9S
Molecular formula furigana: C20-H30-O9-S
Molecular weight: 446.510
InChI: InChI=1S/C20H30O9S/c1-10-2-4-11(5-3-10)9-30-19-15(26)14(8-23)27-20-18(19)28-16(12(24)6-21)17(29-20)13(25)7-22/h2-5,12-26H,6-9H2,1H3/t12-,13+,14+,15+,16+,17+,18+,19-,20+/m0/s1
InChI key: BEPRBZYYSWNNHT-UOKSXAKASA-N
SMILES: Cc1ccc(CS[C@H]2[C@H](O)[C@@H](CO)O[C@@H]3O[C@H]([C@H](O)CO)[C@H](O[C@H]23)[C@@H](O)CO)cc1
Systematic name  (3):
  • 3-デオキシ-3-(4-メチルベンジルチオ)-α-D-グルコピラノース-D-グルシトール-1,4:2,3-ジアンヒドリド
  • (1R)-1-[(2R,3R,4aR,6R,7R,8S,8aS)-2-[(1S)-1,2-ジヒドロキシエチル]-7-ヒドロキシ-6-(ヒドロキシメチル)-8-{[(4-メチルフェニル)メチル]スルファニル}-ヘキサヒドロ-2H-ピラノ[2,3-b][1,4]ジオキシン-3-イル]エタン-1,2-ジオール
  • (1R)-1-[(2R,3R,4aR,6R,7R,8S,8aS)-2-[(1S)-1,2-dihydroxyethyl]-7-hydroxy-6-(hydroxymethyl)-8-{[(4-methylphenyl)methyl]sulfanyl}-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-3-yl]ethane-1,2-diol
Other name (1):
  • 3-Deoxy-3-(4-methylbenzylthio)-α-D-glucopyranose-D-glucitol-1,4:2,3-dianhydride
Thsaurus map:

Return to Previous Page