| SpectraBase Spectrum ID |
1XpAHzt3L8K |
| Name |
Adenosine-5-monophosphate, 5TMS |
| Alternate Name(s) |
Prestwick_546, 5TMS
Adenosine 5'-monophosphate monohydrate, 5TMS
18422-05-4, 5TMS
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate hydrate, 5TMS
bis(trimethylsilyl) (((2R,3R,4R,5R)-5-(6-((trimethylsilyl)amino)-9H-purin-9-yl)-3,4-bis((trimethylsilyl)oxy)tetrahydrofuran-2-yl)methyl) phosphate hydrate |
| Comments |
Derivatization type: 5 TMS (mass: 725.271); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000042; Note: The molecular formula of the structure shown is C10H16N5O8P - which differs from the formula reported for the mass spectrum (C25H56N5O8PSi5) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H56N5O8PSi5 |
| InChI |
InChI=1S/C25H54N5O7PSi5.O/c1-39(2,3)29-23-20-24(27-17-26-23)30(18-28-20)25-22(35-41(7,8)9)21(34-40(4,5)6)19(33-25)16-32-38(31,36-42(10,11)12)37-43(13,14)15;/h17-19,21-22,25H,16H2,1-15H3,(H,26,27,29);/t19-,21-,22-,25-;/m1./s1 |
| InChIKey |
IINPMBZKKBFCIE-MSNAFCMLSA-N |
| Molecular Weight |
726.149 g/mol |
| SMILES |
O.N(c1c2c(ncn1)[n](cn2)[C@]1([C@@]([C@@]([C@@](COP(O[Si](C)(C)C)(O[Si](C)(C)C)=O)(O1)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[Si](C)(C)C |
| SPLASH |
splash10-014i-0942000000-403889f0301e2084bd49 |
| Source of Spectrum |
FM-2019-42-0 |
| Wiley ID |
1817743 |
