| SpectraBase Compound ID | 20PcOZvrPBL |
|---|---|
| InChI | InChI=1S/C10H16N2O11P2.2C6H15N/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17;2*1-4-7(5-2)6-3/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20);2*4-6H2,1-3H3/t6-,7+,8+;;/m0../s1 |
| InChIKey | IAYCYPUIRAZPLD-ZJWYQBPBSA-N |
| Mol Weight | 604.57 g/mol |
| Molecular Formula | C22H46N4O11P2 |
| Exact Mass | 604.263832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HAO7UfSJvH6 |
|---|---|
| Name | Deoxythymidine, 3',5'-diphosphate, bis(triethylammonium) salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 604.263832302 u |
| Formula | C22H46N4O11P2 |
| InChI | InChI=1S/C10H16N2O11P2.2C6H15N/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17;2*1-4-7(5-2)6-3/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20);2*4-6H2,1-3H3/t6-,7+,8+;;/m0../s1 |
| InChIKey | IAYCYPUIRAZPLD-ZJWYQBPBSA-N |
| Molecular Weight | 604.575 g/mol |
| SMILES | C([NH+](CC)CC)C.OP(OC[C@]1(O[C@](C[C@@]1(OP(O)(=O)[O-])[H])(N1C=C(C)C(NC1=O)=O)[H])[H])([O-])=O.C([NH+](CC)CC)C |