![(1'S,4'R)-9-(4'-[[(CARBOXYFLUOROMETHYL)-HYDROXYPHOSPHORYLOXY]-(HYDROXY)-PHOSPHORYLMETHOXY]-CYCLOPENT-2'-ENYL)-GUANINE-(TRIS-AMMONIUM-SALT)](/api/spectrum/HZfU2yHmlzd/structure.png?h=300&w=458 "(1'S,4'R)-9-(4'-[[(CARBOXYFLUOROMETHYL)-HYDROXYPHOSPHORYLOXY]-(HYDROXY)-PHOSPHORYLMETHOXY]-CYCLOPENT-2'-ENYL)-GUANINE-(TRIS-AMMONIUM-SALT)")
| SpectraBase Compound ID | KhYyEoV8wXX |
|---|---|
| InChI | InChI=1S/C13H16FN5O9P2/c14-9(12(21)22)30(25,26)28-29(23,24)5-27-7-2-1-6(3-7)19-4-16-8-10(19)17-13(15)18-11(8)20/h1-2,4,6-7,9H,3,5H2,(H,21,22)(H,23,24)(H,25,26)(H3,15,17,18,20)/t6-,7+,9?/m1/s1 |
| InChIKey | VGDCTFCDOXNQQK-CSTAXXSYSA-N |
| Mol Weight | 467.24 g/mol |
| Molecular Formula | C13H16FN5O9P2 |
| Exact Mass | 467.040729 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZfU2yHmlzd |
|---|---|
| Name | (1'S,4'R)-9-(4'-[[(CARBOXYFLUOROMETHYL)-HYDROXYPHOSPHORYLOXY]-(HYDROXY)-PHOSPHORYLMETHOXY]-CYCLOPENT-2'-ENYL)-GUANINE-(TRIS-AMMONIUM-SALT) |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H14FN5O9P2 |
| InChI | InChI=1S/C13H16FN5O9P2/c14-9(12(21)22)30(25,26)28-29(23,24)5-27-7-2-1-6(3-7)19-4-16-8-10(19)17-13(15)18-11(8)20/h1-2,4,6-7,9H,3,5H2,(H,21,22)(H,23,24)(H,25,26)(H3,15,17,18,20)/t6-,7+,9?/m1/s1 |
| InChIKey | VGDCTFCDOXNQQK-CSTAXXSYSA-N |
| Literature Reference Author | C.J.HAMILTON,S.M.ROBERTS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1051(1999) |
| Solvent | D2O |
| Source File Reference | UWPA502 |