| SpectraBase Compound ID | EpdfgQg8MDZ |
|---|---|
| InChI | InChI=1S/C15H18FN5O6S/c1-6(22)25-10-8(4-28(3)24)27-14(11(10)26-7(2)23)21-5-18-9-12(17)19-15(16)20-13(9)21/h5,8,10-11,14H,4H2,1-3H3,(H2,17,19,20)/t8-,10-,11-,14-,28?/m1/s1 |
| InChIKey | PSUXCMNUWGBXGQ-JIZJOQGFSA-N |
| Mol Weight | 415.4 g/mol |
| Molecular Formula | C15H18FN5O6S |
| Exact Mass | 415.096183 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7iPu1Ua6vyO |
|---|---|
| Name | 2',3'-Di-O-Acetyl-5'-deoxy-2-fluoro-5'-(methylthio)adenosine S-oxide |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18FN5O6S |
| InChI | InChI=1S/C15H18FN5O6S/c1-6(22)25-10-8(4-28(3)24)27-14(11(10)26-7(2)23)21-5-18-9-12(17)19-15(16)20-13(9)21/h5,8,10-11,14H,4H2,1-3H3,(H2,17,19,20)/t8-,10-,11-,14-,28?/m1/s1 |
| InChIKey | PSUXCMNUWGBXGQ-JIZJOQGFSA-N |
| Ionization Type | EI |
| Molecular Weight | 415.396 g/mol |
| Reported Formula | C15H18FN5O6S |
| SMILES | Nc1c2nc[n]([C@]3([C@@]([C@@]([C@@](CS(C)=O)(O3)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])c2nc(n1)F |
| SPLASH | splash10-0f79-0900600000-2352bb07e49e4f5946b6 |
| Source of Spectrum | WO2016168911A1 |
| Wiley ID | 1853287 |