| SpectraBase Compound ID | 5fsvsTjcG1v |
|---|---|
| InChI | InChI=1S/C15H18FN5O5S/c1-6(22)24-10-8(4-27-3)26-14(11(10)25-7(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-/m1/s1 |
| InChIKey | XASUMYOOVQGACX-IDTAVKCVSA-N |
| Mol Weight | 399.4 g/mol |
| Molecular Formula | C15H18FN5O5S |
| Exact Mass | 399.101268 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8lEANTNn36Q |
|---|---|
| Name | 2',3'-Di-O-Acetyl-5'-deoxy-2-fluoro-5'-(methylthio)adenosine |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18FN5O5S |
| InChI | InChI=1S/C15H18FN5O5S/c1-6(22)24-10-8(4-27-3)26-14(11(10)25-7(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-/m1/s1 |
| InChIKey | XASUMYOOVQGACX-IDTAVKCVSA-N |
| Ionization Type | EI |
| Molecular Weight | 399.397 g/mol |
| Reported Formula | C15H18FN5O5S |
| SMILES | Nc1c2nc[n]([C@]3([C@@]([C@@]([C@@](CSC)(O3)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])c2nc(n1)F |
| SPLASH | splash10-0f79-0900000000-f90a15da2683aa3f8728 |
| Source of Spectrum | WO2016168911A1 |
| Wiley ID | 1853284 |