Chem
J-GLOBAL ID：200907067176475371   Nikkaji number：J2.210.007F

12-Mercaptododecyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside

12-メルカプトドデシル4-O-α-D-グルコピラノシル-β-D-グルコピラノシド
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： C24H46O11S
Molecular formula furigana： C24-H46-O11-S
Molecular weight： 542.680
InChI： InChI=1S/C24H46O11S/c25-13-15-17(27)18(28)20(30)24(33-15)35-22-16(14-26)34-23(21(31)19(22)29)32-11-9-7-5-3-1-2-4-6-8-10-12-36/h15-31,36H,1-14H2/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1
InChI key： QMFGBEZGNANPPC-QKMCSOCLSA-N
SMILES： OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCCCCCCCCS)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • 12-メルカプトドデシル4-O-(α-D-グルコピラノシル)-β-D-グルコピラノシド
  • 12-メルカプトドデシル4-O-α-D-グルコピラノシル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-[(12-スルファニルドデシル)オキシ]オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(12-sulfanyldodecyl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (2)：
  • 12-Mercaptododecyl 4-O-(α-D-glucopyranosyl)-β-D-glucopyranoside
  • 12-Mercaptododecyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside
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