![Diisopropyl{2-[6-(3-aminopropylamino)-2-amino-9H-purine-9-yl]ethoxy}methylphosphonate](/api/spectrum/JdoF6EFWTHE/structure.png?h=300&w=458 "Diisopropyl{2-[6-(3-aminopropylamino)-2-amino-9H-purine-9-yl]ethoxy}methylphosphonate")
| SpectraBase Compound ID | 1DSbvtPo0PG |
|---|---|
| InChI | InChI=1S/C17H32N7O4P/c1-12(2)27-29(25,28-13(3)4)11-26-9-8-24-10-21-14-15(20-7-5-6-18)22-17(19)23-16(14)24/h10,12-13H,5-9,11,18H2,1-4H3,(H3,19,20,22,23) |
| InChIKey | NKPWTKHTESKVAO-UHFFFAOYSA-N |
| Mol Weight | 429.5 g/mol |
| Molecular Formula | C17H32N7O4P |
| Exact Mass | 429.22534 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 | JdoF6EFWTHE |
|---|---|
| Name | Diisopropyl{2-[6-(3-aminopropylamino)-2-amino-9H-purine-9-yl]ethoxy}methylphosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.225339532 u |
| Formula | C17H32N7O4P |
| InChI | InChI=1S/C17H32N7O4P/c1-12(2)27-29(25,28-13(3)4)11-26-9-8-24-10-21-14-15(20-7-5-6-18)22-17(19)23-16(14)24/h10,12-13H,5-9,11,18H2,1-4H3,(H3,19,20,22,23) |
| InChIKey | NKPWTKHTESKVAO-UHFFFAOYSA-N |
| Molecular Weight | 429.462 g/mol |
| SMILES | C=12C(N=CN2CCOCP(=O)(OC(C)C)OC(C)C)=C(NCCCN)N=C(N1)N |