| SpectraBase Compound ID | LxRog4jpGAo |
|---|---|
| InChI | InChI=1S/C15H18FN5O7S/c1-6(22)26-10-8(4-29(3,24)25)28-14(11(10)27-7(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 | PTVRORWZMHIGKJ-IDTAVKCVSA-N |
| Mol Weight | 431.4 g/mol |
| Molecular Formula | C15H18FN5O7S |
| Exact Mass | 431.091097 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FIzwPvqA52b |
|---|---|
| Name | 2',3'-Di-O-Acetyl-5'-deoxy-2-fluoro-5'-(methylthio)adenosine S,S-dioxide |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18FN5O7S |
| InChI | InChI=1S/C15H18FN5O7S/c1-6(22)26-10-8(4-29(3,24)25)28-14(11(10)27-7(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 | PTVRORWZMHIGKJ-IDTAVKCVSA-N |
| Ionization Type | EI |
| Molecular Weight | 431.395 g/mol |
| Reported Formula | C15H18FN5O7S |
| SMILES | Nc1c2nc[n]([C@]3([C@@]([C@@]([C@@](CS(C)(=O)=O)(O3)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])c2nc(n1)F |
| SPLASH | splash10-002r-0950000000-3b947ba41e0d7738ac0e |
| Source of Spectrum | WO2016168911A1 |
| Wiley ID | 1853288 |