![(1'S,4'R)-9-[4'-(HYDROXY-([(DIFLUORO)-(PHENYLHYDROXYPHOSPHORYL)-METHYL]-HYDROXYPHOSPHORYLOXY)-PHOSPHORYLMETHOXY)-CYClOPENT-2'-ENYL]-GUANINE-(TRIS-](/api/spectrum/KLpCo39HAXQ/structure.png?h=300&w=458 "(1'S,4'R)-9-[4'-(HYDROXY-([(DIFLUORO)-(PHENYLHYDROXYPHOSPHORYL)-METHYL]-HYDROXYPHOSPHORYLOXY)-PHOSPHORYLMETHOXY)-CYClOPENT-2'-ENYL]-GUANINE-(TRIS-")
| SpectraBase Compound ID | 52MW7pmEnHw |
|---|---|
| InChI | InChI=1S/C18H20F2N5O9P3.3N/c19-18(20,36(29,30)13-4-2-1-3-5-13)37(31,32)34-35(27,28)10-33-12-7-6-11(8-12)25-9-22-14-15(25)23-17(21)24-16(14)26;;;/h1-7,9,11-12H,8,10H2,(H,27,28)(H,29,30)(H,31,32)(H3,21,23,24,26);;;/q;3*+1/p-3/t11-,12+;;;/m1.../s1 |
| InChIKey | CPWYCHHHPPWMAJ-GDGSLZPISA-K |
| Mol Weight | 620.299 g/mol |
| Molecular Formula | C18H17F2N8O9P3 |
| Exact Mass | 620.029941 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLpCo39HAXQ |
|---|---|
| Name | (1'S,4'R)-9-[4'-(HYDROXY-([(DIFLUORO)-(PHENYLHYDROXYPHOSPHORYL)-METHYL]-HYDROXYPHOSPHORYLOXY)-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-GUANINE-(TRIS- |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H17F2N8O9P3 |
| InChI | InChI=1S/C18H20F2N5O9P3.3N/c19-18(20,36(29,30)13-4-2-1-3-5-13)37(31,32)34-35(27,28)10-33-12-7-6-11(8-12)25-9-22-14-15(25)23-17(21)24-16(14)26;;;/h1-7,9,11-12H,8,10H2,(H,27,28)(H,29,30)(H,31,32)(H3,21,23,24,26);;;/q;3*+1/p-3/t11-,12+;;;/m1.../s1 |
| InChIKey | CPWYCHHHPPWMAJ-GDGSLZPISA-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 | UWLU4743 |