| SpectraBase Compound ID | 3Ree4EZAvro |
|---|---|
| InChI | InChI=1S/C10H14N2O10P2/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(20-8)4-19-23(15,16)22-24(17,18)21-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,17,18)(H,11,13,14)/t6-,7+,8+/m0/s1 |
| InChIKey | PIUNHYWVOITPFH-XLPZGREQSA-N |
| Mol Weight | 384.17 g/mol |
| Molecular Formula | C10H14N2O10P2 |
| Exact Mass | 384.012369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KuVTP8kXnb9 |
|---|---|
| Name | Deoxythymidine-3',5'-cyclopyrophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.012368645 u |
| Formula | C10H14N2O10P2 |
| InChI | InChI=1S/C10H14N2O10P2/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(20-8)4-19-23(15,16)22-24(17,18)21-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,17,18)(H,11,13,14)/t6-,7+,8+/m0/s1 |
| InChIKey | PIUNHYWVOITPFH-XLPZGREQSA-N |
| Molecular Weight | 384.174 g/mol |
| SMILES | OP1(OP(OC[C@@]2([C@](C[C@](N3C(NC(C(=C3)C)=O)=O)(O2)[H])(O1)[H])[H])(=O)O)=O |