| SpectraBase Compound ID | C7iNcqjEQaM |
|---|---|
| InChI | InChI=1S/C12H17N2O9P/c1-6-4-14(12(17)13-11(6)16)10-3-8(22-7(2)15)9(23-10)5-21-24(18,19)20/h4,8-10H,3,5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/p-1/t8-,9+,10+/m0/s1 |
| InChIKey | VPHFSMMVTJEQPM-IVZWLZJFSA-M |
| Mol Weight | 363.24 g/mol |
| Molecular Formula | C12H16N2O9P |
| Exact Mass | 363.059342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKiZgWbG8y4 |
|---|---|
| Name | 3'-o-Acetylthymidine-5'-phosphate, anion |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.059342092 u |
| Formula | C12H16N2O9P |
| InChI | InChI=1S/C12H17N2O9P/c1-6-4-14(12(17)13-11(6)16)10-3-8(22-7(2)15)9(23-10)5-21-24(18,19)20/h4,8-10H,3,5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/p-1/t8-,9+,10+/m0/s1 |
| InChIKey | VPHFSMMVTJEQPM-IVZWLZJFSA-M |
| Molecular Weight | 363.239 g/mol |
| SMILES | OP(OC[C@]1(O[C@@](N2C(NC(C(=C2)C)=O)=O)(C[C@@]1(OC(=O)C)[H])[H])[H])(=O)[O-] |