![(1'S,4'R)-9-[4'-(HYDROXY)-[[(DIFLUORO)-(PHOSPHONO)-METHYL]-HYDROXYPHOSPHORYLOXY]-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-ADENINE-(TRIS-AMMONIUM-SALT)](/api/spectrum/Jp5UyuExzkF/structure.png?h=300&w=458 "(1'S,4'R)-9-[4'-(HYDROXY)-[[(DIFLUORO)-(PHOSPHONO)-METHYL]-HYDROXYPHOSPHORYLOXY]-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-ADENINE-(TRIS-AMMONIUM-SALT)")
| SpectraBase Compound ID | BE7km8XoL5j |
|---|---|
| InChI | InChI=1S/C12H18F2N5O9P3.3H3N/c13-12(14,30(22,23)24)31(25,26)28-29(20,21)6-27-8-2-1-7(3-8)19-5-18-9-10(15)16-4-17-11(9)19;;;/h1-2,4-5,7-9,11H,3,6H2,(H,20,21)(H,25,26)(H2,15,16,17)(H2,22,23,24);3*1H3/t7-,8+,9?,11?;;;/m1.../s1 |
| InChIKey | OEENVVAZMAWTBY-VJDIPRSGSA-N |
| Mol Weight | 546.217 g/mol |
| Molecular Formula | C12H15F2N8O9P3 |
| Exact Mass | 546.014291 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jp5UyuExzkF |
|---|---|
| Name | (1'S,4'R)-9-[4'-(HYDROXY)-[[(DIFLUORO)-(PHOSPHONO)-METHYL]-HYDROXYPHOSPHORYLOXY]-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-ADENINE-(TRIS-AMMONIUM-SALT) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H14F2N8O9P3 |
| InChI | InChI=1S/C12H18F2N5O9P3.3H3N/c13-12(14,30(22,23)24)31(25,26)28-29(20,21)6-27-8-2-1-7(3-8)19-5-18-9-10(15)16-4-17-11(9)19;;;/h1-2,4-5,7-9,11H,3,6H2,(H,20,21)(H,25,26)(H2,15,16,17)(H2,22,23,24);3*1H3/t7-,8+,9?,11?;;;/m1.../s1 |
| InChIKey | OEENVVAZMAWTBY-VJDIPRSGSA-N |
| Literature Reference Author | A.V.SHIPITSIN,L.S.VICTOROVA,E.A.SHIROKOVA,N.B.DYATKINA,L.E.G ORYUNOVA,R.S.BEABEAL |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1039(1999) |
| Literature Reference DOI | 10.1039/a900336c |
| Solvent | D2O |
| Source File Reference | UWLU4752 |