| SpectraBase Compound ID | B7nJdVkXTgF |
|---|---|
| InChI | InChI=1S/C17H24N7O9P/c1-7(25)21-13-10-14(20-6-19-13)24(17(29)22-10)16-12(27)11(26)9(33-16)5-32-34(30,31)23-15(28)8-3-2-4-18-8/h6,8-9,11-12,16,18,26-27H,2-5H2,1H3,(H,22,29)(H,19,20,21,25)(H2,23,28,30,31)/t8-,9-,11-,12-,16-/m0/s1 |
| InChIKey | PUKWBSDQIQEHJP-UBCGFMHMSA-N |
| Mol Weight | 501.39 g/mol |
| Molecular Formula | C17H24N7O9P |
| Exact Mass | 501.137312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlDIFj3YgNs |
|---|---|
| Name | 6-N-Acetyl-8-oxoadenosine-5'-(N-L-prolylphosphoramidate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 501.137312370 u |
| Formula | C17H24N7O9P |
| InChI | InChI=1S/C17H24N7O9P/c1-7(25)21-13-10-14(20-6-19-13)24(17(29)22-10)16-12(27)11(26)9(33-16)5-32-34(30,31)23-15(28)8-3-2-4-18-8/h6,8-9,11-12,16,18,26-27H,2-5H2,1H3,(H,22,29)(H,19,20,21,25)(H2,23,28,30,31)/t8-,9-,11-,12-,16-/m0/s1 |
| InChIKey | PUKWBSDQIQEHJP-UBCGFMHMSA-N |
| Molecular Weight | 501.393 g/mol |
| SMILES | C1=NC2=C(C(=N1)NC(=O)C)NC(N2[C@@]1([C@]([C@]([C@@](O1)(COP(=O)([O-])NC(=O)[C@@]1(CCC[NH2+]1)[H])[H])(O)[H])(O)[H])[H])=O |