![(1'S,4'R)-9-[4'-(HYDROXY-([(DIFLUORO)-(METHYLHYDROXYPHOSPHORYL)-METHYL]-HYDROXYPHOSPHORYLOXY)-PHOSPHORYLMETHOXY)-CYClOPENT-2'-ENYL]-GUANINE-(TRIS-A](/api/spectrum/81gYrWKzN5/structure.png?h=300&w=458 "(1'S,4'R)-9-[4'-(HYDROXY-([(DIFLUORO)-(METHYLHYDROXYPHOSPHORYL)-METHYL]-HYDROXYPHOSPHORYLOXY)-PHOSPHORYLMETHOXY)-CYClOPENT-2'-ENYL]-GUANINE-(TRIS-A")
| SpectraBase Compound ID | 4DKWd5lC3Ek |
|---|---|
| InChI | InChI=1S/C13H18F2N5O9P3.3N/c1-30(22,23)13(14,15)32(26,27)29-31(24,25)6-28-8-3-2-7(4-8)20-5-17-9-10(20)18-12(16)19-11(9)21;;;/h2-3,5,7-8H,4,6H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H3,16,18,19,21);;;/q;3*+1/p-3/t7-,8+;;;/m1.../s1 |
| InChIKey | MJFXJLGHYFQPLH-LGTUNZBKSA-K |
| Mol Weight | 558.228 g/mol |
| Molecular Formula | C13H15F2N8O9P3 |
| Exact Mass | 558.014291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81gYrWKzN5 |
|---|---|
| Name | (1'S,4'R)-9-[4'-(HYDROXY-([(DIFLUORO)-(METHYLHYDROXYPHOSPHORYL)-METHYL]-HYDROXYPHOSPHORYLOXY)-PHOSPHORYLMETHOXY)-CYClOPENT-2'-ENYL]-GUANINE-(TRIS-A |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H15F2N8O9P3 |
| InChI | InChI=1S/C13H18F2N5O9P3.3N/c1-30(22,23)13(14,15)32(26,27)29-31(24,25)6-28-8-3-2-7(4-8)20-5-17-9-10(20)18-12(16)19-11(9)21;;;/h2-3,5,7-8H,4,6H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H3,16,18,19,21);;;/q;3*+1/p-3/t7-,8+;;;/m1.../s1 |
| InChIKey | MJFXJLGHYFQPLH-LGTUNZBKSA-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 |
| Molecular Weight | 558.228 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU4742 |