| SpectraBase Compound ID | BrPs1lkKA0L |
|---|---|
| InChI | InChI=1S/C28H40N4O17P2/c1-7-41-50(39,43-13-21-19(45-17(5)33)9-23(47-21)31-11-15(3)25(35)29-27(31)37)49-51(40,42-8-2)44-14-22-20(46-18(6)34)10-24(48-22)32-12-16(4)26(36)30-28(32)38/h11-12,19-24H,7-10,13-14H2,1-6H3,(H,29,35,37)(H,30,36,38)/t19-,20-,21+,22+,23+,24+,50?,51?/m0/s1 |
| InChIKey | GHWJHLQKPZOTJY-ASDGOFDESA-N |
| Mol Weight | 766.6 g/mol |
| Molecular Formula | C28H40N4O17P2 |
| Exact Mass | 766.18637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3BW38EYeiAf |
|---|---|
| Name | p,p'-Diethyl-p,p'-bis(3'-o-acetyldeoxythymidin-5'-yl)pyrophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 766.186369823 u |
| Formula | C28H40N4O17P2 |
| InChI | InChI=1S/C28H40N4O17P2/c1-7-41-50(39,43-13-21-19(45-17(5)33)9-23(47-21)31-11-15(3)25(35)29-27(31)37)49-51(40,42-8-2)44-14-22-20(46-18(6)34)10-24(48-22)32-12-16(4)26(36)30-28(32)38/h11-12,19-24H,7-10,13-14H2,1-6H3,(H,29,35,37)(H,30,36,38)/t19-,20-,21+,22+,23+,24+,50?,51?/m0/s1 |
| InChIKey | GHWJHLQKPZOTJY-ASDGOFDESA-N |
| Molecular Weight | 766.587 g/mol |
| SMILES | N1C(C(=CN([C@]2(C[C@@]([C@@](COP(OP(OC[C@]3(O[C@@](N4C(NC(C(=C4)C)=O)=O)(C[C@@]3(OC(C)=O)[H])[H])[H])(=O)OCC)(=O)OCC)(O2)[H])(OC(C)=O)[H])[H])C1=O)C)=O |