![3'-Deoxy-3'-C-[(hydroxyphosphinyl)-methyl]-2'-o-methylthymidine](/api/spectrum/ACe5N4ctRa7/structure.png?h=300&w=458 "3'-Deoxy-3'-C-[(hydroxyphosphinyl)-methyl]-2'-o-methylthymidine")
| SpectraBase Compound ID | 9YbcDIdVPj9 |
|---|---|
| InChI | InChI=1S/C12H19N2O7P/c1-6-3-14(12(17)13-10(6)16)11-9(20-2)7(5-22(18)19)8(4-15)21-11/h3,7-9,11,15,22H,4-5H2,1-2H3,(H,18,19)(H,13,16,17)/t7-,8-,9-,11-/m0/s1 |
| InChIKey | MMGHSSCEYALAPO-KBIXCLLPSA-N |
| Mol Weight | 334.26 g/mol |
| Molecular Formula | C12H19N2O7P |
| Exact Mass | 334.092988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACe5N4ctRa7 |
|---|---|
| Name | 3'-Deoxy-3'-C-[(hydroxyphosphinyl)-methyl]-2'-o-methylthymidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.092987951 u |
| Formula | C12H19N2O7P |
| InChI | InChI=1S/C12H19N2O7P/c1-6-3-14(12(17)13-10(6)16)11-9(20-2)7(5-22(18)19)8(4-15)21-11/h3,7-9,11,15,22H,4-5H2,1-2H3,(H,18,19)(H,13,16,17)/t7-,8-,9-,11-/m0/s1 |
| InChIKey | MMGHSSCEYALAPO-KBIXCLLPSA-N |
| Molecular Weight | 334.265 g/mol |
| Nominal Mass | 334 u |
| SMILES | C(P(=O)O)[C@@]1([C@@]([C@@](N2C(=O)NC(=O)C(=C2)C)(O[C@]1(CO)[H])[H])(OC)[H])[H] |