| SpectraBase Spectrum ID |
B0qfUtzsa2I |
| Name |
tagatose, 5TMS |
| Alternate Name(s) |
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 |
| 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 |
| Wiley ID |
1818032 |
