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2-o-Tosyl-4-(morpholinoamino)-4-deoxy-1,6-anhydro-.beta.-D-glucopyranose
SpectraBase Compound ID F52PfvurO8C
InChI InChI=1S/C17H24N2O7S/c1-11-2-4-12(5-3-11)27(21,22)26-16-15(20)14(13-10-24-17(16)25-13)18-19-6-8-23-9-7-19/h2-5,13-18,20H,6-10H2,1H3/t13-,14-,15+,16-,17-/m1/s1
InChIKey VRISWJKAAYJERM-NQNKBUKLSA-N
Mol Weight 400.45 g/mol
Molecular Formula C17H24N2O7S
Exact Mass 400.130422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJHrNfef05B
Name 2-o-Tosyl-4-(morpholinoamino)-4-deoxy-1,6-anhydro-.beta.-D-glucopyranose
Alternate Name(s) [3-hydroxy-2-(morpholin-4-ylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [3-hydroxy-2-(4-morpholinylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester [3-hydroxy-2-(morpholinoamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate [2-(morpholin-4-ylamino)-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [3-hydroxy-2-(morpholinoamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2O7S
InChI InChI=1S/C17H24N2O7S/c1-11-2-4-12(5-3-11)27(21,22)26-16-15(20)14(13-10-24-17(16)25-13)18-19-6-8-23-9-7-19/h2-5,13-18,20H,6-10H2,1H3/t13-,14-,15+,16-,17-/m1/s1
InChIKey VRISWJKAAYJERM-NQNKBUKLSA-N
Molecular Weight 400.446 g/mol
SMILES N([C@]1([C@@]([C@]([C@]2(O[C@@]1(CO2)[H])[H])(OS(c1ccc(cc1)C)(=O)=O)[H])(O)[H])[H])N1CCOCC1
SPLASH splash10-003f-8900000000-9b71ec89490623790b11
Wiley ID 1471139