Chem
J-GLOBAL ID：200907034627592568   Nikkaji number：J703.873I

Thioisotrehalose

チオイソトレハロース
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： C12H22O10S
Molecular formula furigana： C12-H22-O10-S
Molecular weight： 358.360
InChI： InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1
InChI key： SYKYBMOFPMXDRQ-NCFXGAEVSA-N
SMILES： OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • β-D-グルコピラノシル1-チオ-β-D-グルコピラノシド
  • (2R,3S,4S,5R,6S)-2-(ヒドロキシメチル)-6-{[(2S,3R,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]スルファニル}オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}oxane-3,4,5-triol
Other name (3)：
  • チオイソトレハロース
  • Thioisotrehalose
  • β-D-Glucopyranosyl 1-thio-β-D-glucopyranoside
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