![(1'S,4'R)-9-[4'-(HYDROXY)-[[(DIFLUORO)-(PHOSPHONO)-METHYL]-HYDROXYPHOSPHORYLOXY]-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-GUANINE-(TRIS-AMMONIUM-SALT)](/api/spectrum/CDNSy5ku51Z/structure.png?h=300&w=458 "(1'S,4'R)-9-[4'-(HYDROXY)-[[(DIFLUORO)-(PHOSPHONO)-METHYL]-HYDROXYPHOSPHORYLOXY]-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-GUANINE-(TRIS-AMMONIUM-SALT)")
| SpectraBase Compound ID | 4BT6Cd4I0OR |
|---|---|
| InChI | InChI=1S/C12H16F2N5O10P3.3N/c13-12(14,31(23,24)25)32(26,27)29-30(21,22)5-28-7-2-1-6(3-7)19-4-16-8-9(19)17-11(15)18-10(8)20;;;/h1-2,4,6-7H,3,5H2,(H,21,22)(H,26,27)(H2,23,24,25)(H3,15,17,18,20);;;/q;3*+1/p-3/t6-,7+;;;/m1.../s1 |
| InChIKey | ZTCJBWUFLPTAAS-YEIXYONGSA-K |
| Mol Weight | 560.2 g/mol |
| Molecular Formula | C12H13F2N8O10P3 |
| Exact Mass | 559.993556 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CDNSy5ku51Z |
|---|---|
| Name | (1'S,4'R)-9-[4'-(HYDROXY)-[[(DIFLUORO)-(PHOSPHONO)-METHYL]-HYDROXYPHOSPHORYLOXY]-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-GUANINE-(TRIS-AMMONIUM-SALT) |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H12F2N8O10P3 |
| InChI | InChI=1S/C12H16F2N5O10P3.3N/c13-12(14,31(23,24)25)32(26,27)29-30(21,22)5-28-7-2-1-6(3-7)19-4-16-8-9(19)17-11(15)18-10(8)20;;;/h1-2,4,6-7H,3,5H2,(H,21,22)(H,26,27)(H2,23,24,25)(H3,15,17,18,20);;;/q;3*+1/p-3/t6-,7+;;;/m1.../s1 |
| InChIKey | ZTCJBWUFLPTAAS-YEIXYONGSA-K |
| 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 | UWLU4753 |