| SpectraBase Spectrum ID |
AaB6EP2Q5SK |
| Name |
allose, 5TMS |
| Alternate Name(s) |
D-allose, 5TMS
aldehydo-D-allose, 5TMS
aldehydo-D-allo-hexose, 5TMS
CHEBI:40822, 5TMS
EINECS 219-994-4, 5TMS
(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal, 5TMS
(2R,3R,4R,5R)-2,3,4,5,6-pentakis((trimethylsilyl)oxy)hexanal |
| Comments |
Derivatization type: 5 TMS (mass: 540.261); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000569; 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)23-17-19(25-30(7,8)9)21(27-32(13,14)15)20(26-31(10,11)12)18(16-22)24-29(4,5)6/h16,18-21H,17H2,1-15H3/t18-,19+,20-,21+/m0/s1 |
| InChIKey |
PPTMWEDTYQRQBC-JSXRDJHFSA-N |
| Molecular Weight |
541.066 g/mol |
| SMILES |
C([C@@]([C@@]([C@@]([C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])=O |
| SPLASH |
splash10-05mk-0921000000-58ddb5c40fb4797d91d3 |
| Source of Spectrum |
FM-2019-569-0 |
| Wiley ID |
1818250 |
