| SpectraBase Compound ID | HZW1Qgu8zK0 |
|---|---|
| InChI | InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)/t6-,7+,8+/m0/s1 |
| InChIKey | QSJFDOVQWZVUQG-XLPZGREQSA-N |
| Mol Weight | 304.19 g/mol |
| Molecular Formula | C10H13N2O7P |
| Exact Mass | 304.046038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5fGLycHDSmv |
|---|---|
| Name | Deoxythymidine-3',5'-cyclophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.046037758 u |
| Formula | C10H13N2O7P |
| InChI | InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)/t6-,7+,8+/m0/s1 |
| InChIKey | QSJFDOVQWZVUQG-XLPZGREQSA-N |
| Molecular Weight | 304.195 g/mol |
| SMILES | OP1(OC[C@@]2([C@](C[C@](N3C(NC(C(=C3)C)=O)=O)(O2)[H])(O1)[H])[H])=O |