| SpectraBase Spectrum ID |
6onQQtIF3VA |
| Name |
phosphogluconic acid, 7TMS |
| Comments |
Derivatization type: 7 TMS (mass: 780.301); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000602; Note: The molecular formula of the structure shown is C6H13O10P - which differs from the formula reported for the mass spectrum (C27H69O10PSi7) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H69O10PSi7 |
| InChI |
InChI=1S/C27H69O10PSi7/c1-39(2,3)31-23(22-30-38(29,36-44(16,17)18)37-45(19,20)21)24(32-40(4,5)6)25(33-41(7,8)9)26(34-42(10,11)12)27(28)35-43(13,14)15/h23-26H,22H2,1-21H3 |
| InChIKey |
HFFPPLBTRYCWGG-UHFFFAOYSA-N |
| Molecular Weight |
781.408 g/mol |
| SMILES |
C(C(C(C(C(C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OP(O[Si](C)(C)C)(O[Si](C)(C)C)=O |
| SPLASH |
splash10-0002-0944000000-d89a32ae71d88b5ce6ea |
| Source of Spectrum |
FM-2019-602-0 |
| Synonyms |
6-p-gluconate, 7TMS
6-Phospho-gluconate, 7TMS
6-Phosphogluconic acid, 7TMS
6-Phospho-D-gluconate, 7TMS
CPD-2961, 7TMS
EINECS 258-543-6, 7TMS
2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid, 7TMS
Trimethylsilyl 6-((bis((trimethylsilyl)oxy)phosphoryl)oxy)-2,3,4,5-tetrakis((trimethylsilyl)oxy)hexanoate |
| Wiley ID |
1818283 |
