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2-O-Tosyl-4-thiomorpholino-1,6-anhydro-4-deoxy-.beta.-D-glucopyranoside
SpectraBase Compound ID EtVxCcggjST
InChI InChI=1S/C17H23NO6S2/c1-11-2-4-12(5-3-11)26(20,21)24-16-15(19)14(13-10-22-17(16)23-13)18-6-8-25-9-7-18/h2-5,13-17,19H,6-10H2,1H3/t13-,14-,15+,16-,17-/m1/s1
InChIKey LKLSYTGQKXHJSJ-NQNKBUKLSA-N
Mol Weight 401.49 g/mol
Molecular Formula C17H23NO6S2
Exact Mass 401.09668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A97NDXHNVL5
Name 2-O-Tosyl-4-thiomorpholino-1,6-anhydro-4-deoxy-.beta.-D-glucopyranoside
Comments Structure changed after expert review
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Formula C17H23NO6S2
InChI InChI=1S/C17H23NO6S2/c1-11-2-4-12(5-3-11)26(20,21)24-16-15(19)14(13-10-22-17(16)23-13)18-6-8-25-9-7-18/h2-5,13-17,19H,6-10H2,1H3/t13-,14-,15+,16-,17-/m1/s1
InChIKey LKLSYTGQKXHJSJ-NQNKBUKLSA-N
Molecular Weight 401.492 g/mol
SMILES O[C@]1([C@@]([C@@]2(O[C@]([C@@]1(OS(c1ccc(cc1)C)(=O)=O)[H])(OC2)[H])[H])(N1CCSCC1)[H])[H]
SPLASH splash10-0udl-9730000000-63d7ef663fec72e96df1
Synonyms 4-Methylbenzenesulfonic acid (3-hydroxy-2-thiomorpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-4-yl) ester (3-hydroxy-2-thiomorpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-4-yl) 4-methylbenzenesulfonate (3-hydroxy-2-thiomorpholino-6,8-dioxabicyclo[3.2.1]octan-4-yl) 4-methylbenzenesulfonate (3-oxidanyl-2-thiomorpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-4-yl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (3-hydroxy-2-thiomorpholino-6,8-dioxabicyclo[3.2.1]octan-4-yl) ester
Wiley ID 1471138