![(1'S,4'R)-9-[4'-(HYDROXY)-[[(PHENYL)-HYDROXYPHOSPHORYLOXY]-HYDROXYPHOSPHORYLOXY]-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-ADENINE-(TRIS-AMMONIUM-SALT)](/api/spectrum/vo9ebhXiVQ/structure.png?h=300&w=458 "(1'S,4'R)-9-[4'-(HYDROXY)-[[(PHENYL)-HYDROXYPHOSPHORYLOXY]-HYDROXYPHOSPHORYLOXY]-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-ADENINE-(TRIS-AMMONIUM-SALT)")
| SpectraBase Compound ID | IOtVXz1wReg |
|---|---|
| InChI | InChI=1S/C17H20N5O9P3.3N/c18-16-15-17(20-9-19-16)22(10-21-15)12-6-7-13(8-12)29-11-32(23,24)30-34(27,28)31-33(25,26)14-4-2-1-3-5-14;;;/h1-7,9-10,12-13H,8,11H2,(H,23,24)(H,25,26)(H,27,28)(H2,18,19,20);;;/q;3*+1/p-3/t12-,13+;;;/m1.../s1 |
| InChIKey | APFPMRSDEZVWHU-JIKQGSGNSA-K |
| Mol Weight | 570.291 g/mol |
| Molecular Formula | C17H17N8O9P3 |
| Exact Mass | 570.033135 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | vo9ebhXiVQ |
|---|---|
| Name | (1'S,4'R)-9-[4'-(HYDROXY)-[[(PHENYL)-HYDROXYPHOSPHORYLOXY]-HYDROXYPHOSPHORYLOXY]-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-ADENINE-(TRIS-AMMONIUM-SALT) |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H17N8O9P3 |
| InChI | InChI=1S/C17H20N5O9P3.3N/c18-16-15-17(20-9-19-16)22(10-21-15)12-6-7-13(8-12)29-11-32(23,24)30-34(27,28)31-33(25,26)14-4-2-1-3-5-14;;;/h1-7,9-10,12-13H,8,11H2,(H,23,24)(H,25,26)(H,27,28)(H2,18,19,20);;;/q;3*+1/p-3/t12-,13+;;;/m1.../s1 |
| InChIKey | APFPMRSDEZVWHU-JIKQGSGNSA-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 | UWLU4754 |