![(1'S,4'R)-9-[4'-(HYDROXY-([(METHYLHYDROXYPHOSPHORYL)-METHYL]-HYDROXYPHOSPHORYLOXY)-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-ADENINE-(TRIS-AMMONIUM-SAL](/api/spectrum/La8NPFkecKx/structure.png?h=300&w=458 "(1'S,4'R)-9-[4'-(HYDROXY-([(METHYLHYDROXYPHOSPHORYL)-METHYL]-HYDROXYPHOSPHORYLOXY)-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-ADENINE-(TRIS-AMMONIUM-SAL")
| SpectraBase Compound ID | HEOoDCYvWow |
|---|---|
| InChI | InChI=1S/C13H20N5O8P3.3N/c1-27(19,20)8-29(23,24)26-28(21,22)7-25-10-3-2-9(4-10)18-6-17-11-12(14)15-5-16-13(11)18;;;/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,19,20)(H,21,22)(H,23,24)(H2,14,15,16);;;/q;3*+1/p-3/t9-,10+;;;/m1.../s1 |
| InChIKey | VTPDEBKNZBIZNS-OTLAMWELSA-K |
| Mol Weight | 506.248 g/mol |
| Molecular Formula | C13H17N8O8P3 |
| Exact Mass | 506.038221 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | La8NPFkecKx |
|---|---|
| Name | (1'S,4'R)-9-[4'-(HYDROXY-([(METHYLHYDROXYPHOSPHORYL)-METHYL]-HYDROXYPHOSPHORYLOXY)-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-ADENINE-(TRIS-AMMONIUM-SAL |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H17N8O8P3 |
| InChI | InChI=1S/C13H20N5O8P3.3N/c1-27(19,20)8-29(23,24)26-28(21,22)7-25-10-3-2-9(4-10)18-6-17-11-12(14)15-5-16-13(11)18;;;/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,19,20)(H,21,22)(H,23,24)(H2,14,15,16);;;/q;3*+1/p-3/t9-,10+;;;/m1.../s1 |
| InChIKey | VTPDEBKNZBIZNS-OTLAMWELSA-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 | UWLU4755 |