![P,P'-BIS-[[4-(ADENINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIPHOSPHATE](/api/spectrum/AqCy3x23qax/structure.png?h=300&w=458 "P,P'-BIS-[[4-(ADENINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIPHOSPHATE")
| SpectraBase Compound ID | 58dVszrDBpF |
|---|---|
| InChI | InChI=1S/C22H28N10O13P4/c23-19-17-21(27-7-25-19)31(9-29-17)13-1-3-15(5-13)41-11-46(33,34)43-48(37,38)45-49(39,40)44-47(35,36)12-42-16-4-2-14(6-16)32-10-30-18-20(24)26-8-28-22(18)32/h1-4,7-10,13-16H,5-6,11-12H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,23,25,27)(H2,24,26,28)/t13-,14-,15+,16+/m0/s1 |
| InChIKey | FHAGYNIFEVPJDX-CAOSSQGBSA-N |
| Mol Weight | 764.42 g/mol |
| Molecular Formula | C22H28N10O13P4 |
| Exact Mass | 764.078779 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqCy3x23qax |
|---|---|
| Name | P,P'-BIS-[[4-(ADENINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIPHOSPHATE |
| Compound Number | IIA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H24N10O13P4 |
| InChI | InChI=1S/C22H28N10O13P4/c23-19-17-21(27-7-25-19)31(9-29-17)13-1-3-15(5-13)41-11-46(33,34)43-48(37,38)45-49(39,40)44-47(35,36)12-42-16-4-2-14(6-16)32-10-30-18-20(24)26-8-28-22(18)32/h1-4,7-10,13-16H,5-6,11-12H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,23,25,27)(H2,24,26,28)/t13-,14-,15+,16+/m0/s1 |
| InChIKey | FHAGYNIFEVPJDX-CAOSSQGBSA-N |
| Literature Reference Author | A.L.KHANDAZHINSKAYA,E.A.SHIROKOVA,Y.S.SKOBLOV,L.S.VICTOROVA, L.Y.GORYUNOVA,R.S.BE |
| Literature Reference Citation | J.MED.CHEM.,45,1284(2002) |
| Literature Reference DOI | 10.1021/jm011011l |
| Solvent | D2O |
| Source File Reference | UWLU64472 |