![P,P'-BIS-[[4-(GUANINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIBROMODIPHOSPHONATE](/api/spectrum/FSDeDId5tNn/structure.png?h=300&w=458 "P,P'-BIS-[[4-(GUANINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIBROMODIPHOSPHONATE")
| SpectraBase Compound ID | Dv2gXQIlGTO |
|---|---|
| InChI | InChI=1S/C23H28Br2N10O14P4/c24-23(25,52(42,43)48-50(38,39)9-46-13-3-1-11(5-13)34-7-28-15-17(34)30-21(26)32-19(15)36)53(44,45)49-51(40,41)10-47-14-4-2-12(6-14)35-8-29-16-18(35)31-22(27)33-20(16)37/h1-4,7-8,11-14H,5-6,9-10H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H3,26,30,32,36)(H3,27,31,33,37)/t11-,12-,13+,14+/m0/s1 |
| InChIKey | XSBMBLMLBMCCAC-IGQOVBAYSA-N |
| Mol Weight | 952.24 g/mol |
| Molecular Formula | C23H28Br2N10O14P4 |
| Exact Mass | 949.91037 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FSDeDId5tNn |
|---|---|
| Name | P,P'-BIS-[[4-(GUANINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIBROMODIPHOSPHONATE |
| Compound Number | IC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H24Br2N10O14P4 |
| InChI | InChI=1S/C23H28Br2N10O14P4/c24-23(25,52(42,43)48-50(38,39)9-46-13-3-1-11(5-13)34-7-28-15-17(34)30-21(26)32-19(15)36)53(44,45)49-51(40,41)10-47-14-4-2-12(6-14)35-8-29-16-18(35)31-22(27)33-20(16)37/h1-4,7-8,11-14H,5-6,9-10H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H3,26,30,32,36)(H3,27,31,33,37)/t11-,12-,13+,14+/m0/s1 |
| InChIKey | XSBMBLMLBMCCAC-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 | UWLU64470 |