| SpectraBase Compound ID | ITSyURHjS4k |
|---|---|
| InChI | InChI=1S/C26H39N9O15P2.3Na/c1-45-20-19(15(11-47-52(42,43)44)49-24(20)35-12-29-18-21(35)32-25(28)33-22(18)39)50-51(41,30-7-4-2-3-5-17(37)38)46-10-13-9-14(36)23(48-13)34-8-6-16(27)31-26(34)40;;;/h6,8,12-15,19-20,23-24,36H,2-5,7,9-11H2,1H3,(H,30,41)(H,37,38)(H2,27,31,40)(H2,42,43,44)(H3,28,32,33,39);;;/q;3*+1/p-3 |
| InChIKey | VTPGEYYMAQBNTR-UHFFFAOYSA-K |
| Mol Weight | 845.5 g/mol |
| Molecular Formula | C26H36N9Na3O15P2 |
| Exact Mass | 845.149918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DujLaWfOPlL |
|---|---|
| Name | O-(3'-DEOXYCYTIDIN-5'-YL)-O-(2'-O-METHYL-5'-O-PHOSPHORYL_GUANOSIN-3'-YL)-N-(5-CARBOXYPENTYL)-PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H36N9Na3O15P2 |
| InChI | InChI=1S/C26H39N9O15P2.3Na/c1-45-20-19(15(11-47-52(42,43)44)49-24(20)35-12-29-18-21(35)32-25(28)33-22(18)39)50-51(41,30-7-4-2-3-5-17(37)38)46-10-13-9-14(36)23(48-13)34-8-6-16(27)31-26(34)40;;;/h6,8,12-15,19-20,23-24,36H,2-5,7,9-11H2,1H3,(H,30,41)(H,37,38)(H2,27,31,40)(H2,42,43,44)(H3,28,32,33,39);;;/q;3*+1/p-3 |
| InChIKey | VTPGEYYMAQBNTR-UHFFFAOYSA-K |
| Literature Reference Author | S.PRIET,I.ZLATEV,I.BARVIK,K.GEERTS,P.LEYSSEN,J.NEYTA,F.DUTAR TRE,B.CANARD,J.J.VAS |
| Literature Reference Citation | J.MED.CHEM.,53,6608(2010) |
| Literature Reference DOI | 10.1021/jm100102v |
| Molecular Weight | 845.540 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ47495 |