| SpectraBase Compound ID | 3gYmvEgzytv |
|---|---|
| InChI | InChI=1S/C10H16N3O7P/c1-5-3-13(10(16)12-9(5)15)8-2-6(14)7(20-8)4-19-21(11,17)18/h3,6-8,14H,2,4H2,1H3,(H3,11,17,18)(H,12,15,16)/p-1/t6-,7+,8+/m0/s1 |
| InChIKey | ZBEGSMVHWDDGDJ-XLPZGREQSA-M |
| Mol Weight | 320.22 g/mol |
| Molecular Formula | C10H15N3O7P |
| Exact Mass | 320.064762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 44Gf0HZljPf |
|---|---|
| Name | Deoxythymidine-5'-amidophosphoric acid, anion |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.064761826 u |
| Formula | C10H15N3O7P |
| InChI | InChI=1S/C10H16N3O7P/c1-5-3-13(10(16)12-9(5)15)8-2-6(14)7(20-8)4-19-21(11,17)18/h3,6-8,14H,2,4H2,1H3,(H3,11,17,18)(H,12,15,16)/p-1/t6-,7+,8+/m0/s1 |
| InChIKey | ZBEGSMVHWDDGDJ-XLPZGREQSA-M |
| Molecular Weight | 320.218 g/mol |
| SMILES | NP(OC[C@]1(O[C@](C[C@@]1(O)[H])(N1C=C(C)C(NC1=O)=O)[H])[H])(=O)[O-] |