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N-acetyl-D-galactosamine, 5TMS
SpectraBase Compound ID KQxTXbm9sNS
InChI InChI=1S/C23H55NO6Si5/c1-18(25)24(31(2,3)4)20-22(29-34(11,12)13)21(28-33(8,9)10)19(17-26-32(5,6)7)27-23(20)30-35(14,15)16/h19-23H,17H2,1-16H3/t19-,20-,21+,22-,23?/m1/s1
InChIKey WQCREWITWKWSJK-HZQGQDIUSA-N
Mol Weight 582.1 g/mol
Molecular Formula C23H55NO6Si5
Exact Mass 581.287571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9qgL3s276i
Name N-acetyl-D-galactosamine, 5TMS
Comments Derivatization type: 5 TMS (mass: 581.288); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000607; Note: The molecular formula of the structure shown is C8H15NO6 - which differs from the formula reported for the mass spectrum (C23H55NO6Si5)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H55NO6Si5
InChI InChI=1S/C23H55NO6Si5/c1-18(25)24(31(2,3)4)20-22(29-34(11,12)13)21(28-33(8,9)10)19(17-26-32(5,6)7)27-23(20)30-35(14,15)16/h19-23H,17H2,1-16H3/t19-,20-,21+,22-,23?/m1/s1
InChIKey WQCREWITWKWSJK-HZQGQDIUSA-N
Molecular Weight 582.119 g/mol
SMILES CC(N([C@@]1([C@]([C@]([C@@](CO[Si](C)(C)C)(OC1O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[Si](C)(C)C)=O
SPLASH splash10-0ktb-0931000000-72c950dd182bcf7f3d44
Source of Spectrum FM-2019-607-0
Synonyms D-GalNAc, 5TMS N-Acetyl-D-galactosamine, 5TMS N-Acetylchondrosamine, 5TMS N-Acetyl-D-chondrosamine, 5TMS ACETYLGALACTOSAMINE, 5TMS 2-Acetamido-2-deoxy-D-galactose, 5TMS N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide, 5TMS N-(trimethylsilyl)-N-((3R,4R,5S,6R)-2,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-3-yl)acetamide
Wiley ID 1818288