| SpectraBase Compound ID | 2Zd6j7SWBkQ |
|---|---|
| InChI | InChI=1S/C14H24N6O9P2/c1-2-3-4-19-30(23,24)29-31(25,26)27-5-8-10(21)11(22)14(28-8)20-7-18-9-12(15)16-6-17-13(9)20/h6-8,10-11,14,21-22H,2-5H2,1H3,(H,25,26)(H2,15,16,17)(H2,19,23,24)/t8-,10-,11-,14-/m1/s1 |
| InChIKey | HHNKLMABQWRLMN-IDTAVKCVSA-N |
| Mol Weight | 482.33 g/mol |
| Molecular Formula | C14H24N6O9P2 |
| Exact Mass | 482.108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRMEaOkIstX |
|---|---|
| Name | Adenosine-5'-butylamidopyrophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.108000364 u |
| Formula | C14H24N6O9P2 |
| InChI | InChI=1S/C14H24N6O9P2/c1-2-3-4-19-30(23,24)29-31(25,26)27-5-8-10(21)11(22)14(28-8)20-7-18-9-12(15)16-6-17-13(9)20/h6-8,10-11,14,21-22H,2-5H2,1H3,(H,25,26)(H2,15,16,17)(H2,19,23,24)/t8-,10-,11-,14-/m1/s1 |
| InChIKey | HHNKLMABQWRLMN-IDTAVKCVSA-N |
| Molecular Weight | 482.327 g/mol |
| SMILES | OP(OP(OC[C@@]1([C@]([C@]([C@@](O1)(N1C=Nc2c1ncnc2N)[H])(O)[H])(O)[H])[H])(=O)O)(=O)NCCCC |