For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(3-Benzyl-2-thioureido)-1-deoxy-.beta.-d-glucopyranose 2,3,4,6-tetraacetate
SpectraBase Compound ID FpRvR6hTnha
InChI InChI=1S/C22H28N2O9S/c1-12(25)29-11-17-18(30-13(2)26)19(31-14(3)27)20(32-15(4)28)21(33-17)24-22(34)23-10-16-8-6-5-7-9-16/h5-9,17-21H,10-11H2,1-4H3,(H2,23,24,34)/t17-,18-,19+,20-,21-/m1/s1
InChIKey VVSYQGBORQWETA-YMQHIKHWSA-N
Mol Weight 496.53 g/mol
Molecular Formula C22H28N2O9S
Exact Mass 496.151552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Lwf4tzcjNJf
Name 1-(3-Benzyl-2-thioureido)-1-deoxy-.beta.-d-glucopyranose 2,3,4,6-tetraacetate
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O9S
InChI InChI=1S/C22H28N2O9S/c1-12(25)29-11-17-18(30-13(2)26)19(31-14(3)27)20(32-15(4)28)21(33-17)24-22(34)23-10-16-8-6-5-7-9-16/h5-9,17-21H,10-11H2,1-4H3,(H2,23,24,34)/t17-,18-,19+,20-,21-/m1/s1
InChIKey VVSYQGBORQWETA-YMQHIKHWSA-N
Molecular Weight 496.531 g/mol
SMILES N([C@]1([C@@]([C@]([C@](OC(C)=O)([C@](O1)(COC(C)=O)[H])[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C(=S)NCc1ccccc1
SPLASH splash10-0006-9200000000-c0c1b22f437f5b68782f
Synonyms 2,3,4,6-Tetra-O-acetyl-N-[(benzylamino)carbothioyl]hexopyranosylamine Acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(benzylthiocarbamoylamino)tetrahydropyran-2-yl]methyl ester
Wiley ID 1470216