| SpectraBase Compound ID | 29YoaYM1jAx |
|---|---|
| InChI | InChI=1S/C10H15N2O6PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-17-19(16)20/h3,6-8,13,19H,2,4H2,1H3,(H,16,20)(H,11,14,15)/t6-,7+,8+/m0/s1 |
| InChIKey | JOGGXUUGFHUPKB-XLPZGREQSA-N |
| Mol Weight | 322.27 g/mol |
| Molecular Formula | C10H15N2O6PS |
| Exact Mass | 322.038844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 44yUY85JH2g |
|---|---|
| Name | Thymidine-5'-H-thiophosphonate (diastereomer 2) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.038844377 u |
| Formula | C10H15N2O6PS |
| InChI | InChI=1S/C10H15N2O6PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-17-19(16)20/h3,6-8,13,19H,2,4H2,1H3,(H,16,20)(H,11,14,15)/t6-,7+,8+/m0/s1 |
| InChIKey | JOGGXUUGFHUPKB-XLPZGREQSA-N |
| Molecular Weight | 322.272 g/mol |
| SMILES | N1C(C(=CN([C@]2(C[C@@]([C@@](COP(O)=S)(O2)[H])(O)[H])[H])C1=O)C)=O |