![P,P'-BIS-[[4-(ADENINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-PHOSPHATE](/api/spectrum/etXIFZT9W1/structure.png?h=300&w=458 "P,P'-BIS-[[4-(ADENINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-PHOSPHATE")
| SpectraBase Compound ID | 8jlx32nWnlp |
|---|---|
| InChI | InChI=1S/C22H27N10O10P3/c23-19-17-21(27-7-25-19)31(9-29-17)13-1-3-15(5-13)39-11-43(33,34)41-45(37,38)42-44(35,36)12-40-16-4-2-14(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)(H2,23,25,27)(H2,24,26,28)/t13-,14-,15+,16+/m0/s1 |
| InChIKey | JDCKPZRCDOXPOF-CAOSSQGBSA-N |
| Mol Weight | 684.44 g/mol |
| Molecular Formula | C22H27N10O10P3 |
| Exact Mass | 684.112448 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | etXIFZT9W1 |
|---|---|
| Name | P,P'-BIS-[[4-(ADENINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-PHOSPHATE |
| Compound Number | IV |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H24N10O10P3 |
| InChI | InChI=1S/C22H27N10O10P3/c23-19-17-21(27-7-25-19)31(9-29-17)13-1-3-15(5-13)39-11-43(33,34)41-45(37,38)42-44(35,36)12-40-16-4-2-14(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)(H2,23,25,27)(H2,24,26,28)/t13-,14-,15+,16+/m0/s1 |
| InChIKey | JDCKPZRCDOXPOF-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 | UWLU64479 |