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

*Links on SpectraBase are not permalinks.
tagatose, 5TMS
SpectraBase Compound ID 9vbiiEellQP
InChI InChI=1S/C21H52O6Si5/c1-28(2,3)23-16-18(22)20(26-31(10,11)12)21(27-32(13,14)15)19(25-30(7,8)9)17-24-29(4,5)6/h19-21H,16-17H2,1-15H3/t19-,20-,21+/m1/s1
InChIKey LDUCAYFXHYLHLP-NJYVYQBISA-N
Mol Weight 541.1 g/mol
Molecular Formula C21H52O6Si5
Exact Mass 540.261022 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 B0qfUtzsa2I
Name tagatose, 5TMS
Comments Derivatization type: 5 TMS (mass: 540.261); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000345; Note: The molecular formula of the structure shown is C6H12O6 - which differs from the formula reported for the mass spectrum (C21H52O6Si5)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H52O6Si5
InChI InChI=1S/C21H52O6Si5/c1-28(2,3)23-16-18(22)20(26-31(10,11)12)21(27-32(13,14)15)19(25-30(7,8)9)17-24-29(4,5)6/h19-21H,16-17H2,1-15H3/t19-,20-,21+/m1/s1
InChIKey LDUCAYFXHYLHLP-NJYVYQBISA-N
Molecular Weight 541.066 g/mol
SMILES C([C@]([C@@]([C@@](C(CO[Si](C)(C)C)=O)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C
SPLASH splash10-0udi-0920000000-c785d191926ead60dc63
Source of Spectrum FM-2019-345-0
Synonyms D-Tagatose, 5TMS Tagatose, 5TMS lyxo-Hexulose, 5TMS DL-Tagatose, 5TMS lyxo-2-Hexulose, 5TMS Tagatose, D-, 5TMS (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one, 5TMS (6S,7S,8R)-2,2,11,11-tetramethyl-6,7,8-tris((trimethylsilyl)oxy)-3,10-dioxa-2,11-disiladodecan-5-one
Wiley ID 1818032