![P,P'-BIS-[[4-(GUANINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-PHOSPHATE](/api/spectrum/EoJRQGz3r1T/structure.png?h=300&w=458 "P,P'-BIS-[[4-(GUANINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-PHOSPHATE")
| SpectraBase Compound ID | 99vLWXdBxdD |
|---|---|
| InChI | InChI=1S/C22H27N10O12P3/c23-21-27-17-15(19(33)29-21)25-7-31(17)11-1-3-13(5-11)41-9-45(35,36)43-47(39,40)44-46(37,38)10-42-14-4-2-12(6-14)32-8-26-16-18(32)28-22(24)30-20(16)34/h1-4,7-8,11-14H,5-6,9-10H2,(H,35,36)(H,37,38)(H,39,40)(H3,23,27,29,33)(H3,24,28,30,34)/t11-,12-,13+,14+/m0/s1 |
| InChIKey | BSYNCFHKPHNSEV-IGQOVBAYSA-N |
| Mol Weight | 716.44 g/mol |
| Molecular Formula | C22H27N10O12P3 |
| Exact Mass | 716.102277 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EoJRQGz3r1T |
|---|---|
| Name | P,P'-BIS-[[4-(GUANINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-PHOSPHATE |
| Compound Number | III |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H24N10O12P3 |
| InChI | InChI=1S/C22H27N10O12P3/c23-21-27-17-15(19(33)29-21)25-7-31(17)11-1-3-13(5-11)41-9-45(35,36)43-47(39,40)44-46(37,38)10-42-14-4-2-12(6-14)32-8-26-16-18(32)28-22(24)30-20(16)34/h1-4,7-8,11-14H,5-6,9-10H2,(H,35,36)(H,37,38)(H,39,40)(H3,23,27,29,33)(H3,24,28,30,34)/t11-,12-,13+,14+/m0/s1 |
| InChIKey | BSYNCFHKPHNSEV-IGQOVBAYSA-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 | UWLU64478 |