| SpectraBase Compound ID | Ehz7gaCccR8 |
|---|---|
| InChI | InChI=1S/C18H25N6O8P/c1-11(25)22-17-16-18(20-9-19-17)24(10-21-16)15-7-13(31-12(2)26)14(32-15)8-30-33(27,28)23-3-5-29-6-4-23/h9-10,13-15H,3-8H2,1-2H3,(H,27,28)(H,19,20,22,25)/t13-,14+,15+/m0/s1 |
| InChIKey | LYFRDZGLUBPXBE-RRFJBIMHSA-N |
| Mol Weight | 484.41 g/mol |
| Molecular Formula | C18H25N6O8P |
| Exact Mass | 484.147149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ybvEAjEnZg |
|---|---|
| Name | N,3'-o-Acetyldeoxyadenine, 5'-morpholidophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 484.147148779 u |
| Formula | C18H25N6O8P |
| InChI | InChI=1S/C18H25N6O8P/c1-11(25)22-17-16-18(20-9-19-17)24(10-21-16)15-7-13(31-12(2)26)14(32-15)8-30-33(27,28)23-3-5-29-6-4-23/h9-10,13-15H,3-8H2,1-2H3,(H,27,28)(H,19,20,22,25)/t13-,14+,15+/m0/s1 |
| InChIKey | LYFRDZGLUBPXBE-RRFJBIMHSA-N |
| Molecular Weight | 484.406 g/mol |
| SMILES | OP(OC[C@@]1([C@](C[C@](N2c3c(c(ncn3)NC(C)=O)N=C2)(O1)[H])(OC(C)=O)[H])[H])(=O)N1CCOCC1 |