| SpectraBase Spectrum ID |
LWswTq7707y |
| Name |
3'-adenylic acid, 5TMS |
| Alternate Name(s) |
Adenylic acid, 5TMS
Adenylate, 5TMS
Phosphentaside, 5TMS
Cardiomone, 5TMS
Adenovite, 5TMS
Phosaden, 5TMS
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate, 5TMS
bis(trimethylsilyl) ((2R,3R,4R,5R)-5-(6-((trimethylsilyl)amino)-9H-purin-9-yl)-4-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)tetrahydrofuran-3-yl) phosphate |
| Comments |
Derivatization type: 5 TMS (mass: 707.261); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000741; Note: The molecular formula of the structure shown is C10H14N5O7P - which differs from the formula reported for the mass spectrum (C25H54N5O7PSi5) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H54N5O7PSi5 |
| InChI |
InChI=1S/C25H54N5O7PSi5/c1-39(2,3)29-23-20-24(27-17-26-23)30(18-28-20)25-22(35-41(7,8)9)21(19(33-25)16-32-40(4,5)6)34-38(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 |
TWTAOBZCYUMKEL-PTGPVQHPSA-N |
| Molecular Weight |
708.134 g/mol |
| SMILES |
N(c1c2c(ncn1)[n](cn2)[C@]1([C@@]([C@@]([C@@](CO[Si](C)(C)C)(O1)[H])(OP(O[Si](C)(C)C)(O[Si](C)(C)C)=O)[H])(O[Si](C)(C)C)[H])[H])[Si](C)(C)C |
| SPLASH |
splash10-0kuv-0973000000-eb7c71515eea7eb1a837 |
| Source of Spectrum |
FM-2019-741-0 |
| Wiley ID |
1818417 |
