![P,P'-BIS-[[4-(GUANINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIPHOSPHATE](/api/spectrum/KPuJidU3E0I/structure.png?h=300&w=458 "P,P'-BIS-[[4-(GUANINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIPHOSPHATE")
| SpectraBase Compound ID | BTVi9UCyVwC |
|---|---|
| InChI | InChI=1S/C22H28N10O15P4/c23-21-27-17-15(19(33)29-21)25-7-31(17)11-1-3-13(5-11)43-9-48(35,36)45-50(39,40)47-51(41,42)46-49(37,38)10-44-14-4-2-12(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)(H,41,42)(H3,23,27,29,33)(H3,24,28,30,34)/t11-,12-,13+,14+/m0/s1 |
| InChIKey | ZUCSGCBYQQMPPV-IGQOVBAYSA-N |
| Mol Weight | 796.42 g/mol |
| Molecular Formula | C22H28N10O15P4 |
| Exact Mass | 796.068608 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPuJidU3E0I |
|---|---|
| Name | P,P'-BIS-[[4-(GUANINE-9-YL)-CYCLOPENT-2-ENYL]-OXYMETHYLPHOSPHONYL]-DIPHOSPHATE |
| Compound Number | IA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H24N10O15P4 |
| InChI | InChI=1S/C22H28N10O15P4/c23-21-27-17-15(19(33)29-21)25-7-31(17)11-1-3-13(5-11)43-9-48(35,36)45-50(39,40)47-51(41,42)46-49(37,38)10-44-14-4-2-12(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)(H,41,42)(H3,23,27,29,33)(H3,24,28,30,34)/t11-,12-,13+,14+/m0/s1 |
| InChIKey | ZUCSGCBYQQMPPV-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 | UWLU64466 |