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D-threo-Pentitol, 3-deoxy-, 1,5-bis(4-methylbenzenesulfonate)
SpectraBase Compound ID EfQywdTjnaU
InChI InChI=1S/C19H24O8S2/c1-14-3-7-18(8-4-14)28(22,23)26-12-16(20)11-17(21)13-27-29(24,25)19-9-5-15(2)6-10-19/h3-10,16-17,20-21H,11-13H2,1-2H3/t16-,17-/m1/s1
InChIKey CPQKVQAKJSQBPA-IAGOWNOFSA-N
Mol Weight 444.51 g/mol
Molecular Formula C19H24O8S2
Exact Mass 444.09126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fg9e9GaldR
Name D-threo-Pentitol, 3-deoxy-, 1,5-bis(4-methylbenzenesulfonate)
Alternate Name(s) (-)-(2R,4R)-1,2,4,5-Pentanetetrol-1,5-bis-(4-methylbenzenesulphonate) 3-deoxy-1,5-bis-O-[(4-methylphenyl)sulfonyl]-L-threo-pentitol
CAS Registry Number 127785-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O8S2
InChI InChI=1S/C19H24O8S2/c1-14-3-7-18(8-4-14)28(22,23)26-12-16(20)11-17(21)13-27-29(24,25)19-9-5-15(2)6-10-19/h3-10,16-17,20-21H,11-13H2,1-2H3/t16-,17-/m1/s1
InChIKey CPQKVQAKJSQBPA-IAGOWNOFSA-N
Molecular Weight 444.513 g/mol
SMILES O[C@](C[C@](COS(c1ccc(cc1)C)(=O)=O)(O)[H])(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0006-9100000000-79882c34055feb882152
Source of Spectrum F-45-7175-10
Wiley ID 1385871