![O-(3'-DEOXYCYTIDIN-5'-YL)-N-[2-(2-METHOXYETHOXY)-ETHYL]-O-(2'-O-METHYL-5'-O-PHOSPHORAMIDATEGUANOSIN-3'-YL)_PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_2](/api/spectrum/6s0RD3Ql8g6/structure.png?h=300&w=458 "O-(3'-DEOXYCYTIDIN-5'-YL)-N-[2-(2-METHOXYETHOXY)-ETHYL]-O-(2'-O-METHYL-5'-O-PHOSPHORAMIDATEGUANOSIN-3'-YL)_PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_2")
| SpectraBase Compound ID | FSxV8uhzUB6 |
|---|---|
| InChI | InChI=1S/C25H39N9O15P2.2Na/c1-42-7-8-44-6-4-29-50(38,45-10-13-9-14(35)22(47-13)33-5-3-16(26)30-25(33)37)49-18-15(11-46-51(39,40)41)48-23(19(18)43-2)34-12-28-17-20(34)31-24(27)32-21(17)36;;/h3,5,12-15,18-19,22-23,35H,4,6-11H2,1-2H3,(H,29,38)(H2,26,30,37)(H2,39,40,41)(H3,27,31,32,36);;/q;2*+1/p-2 |
| InChIKey | FJFJZFBBNYQSQK-UHFFFAOYSA-L |
| Mol Weight | 811.5 g/mol |
| Molecular Formula | C25H37N9Na2O15P2 |
| Exact Mass | 811.167974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6s0RD3Ql8g6 |
|---|---|
| Name | O-(3'-DEOXYCYTIDIN-5'-YL)-N-[2-(2-METHOXYETHOXY)-ETHYL]-O-(2'-O-METHYL-5'-O-PHOSPHORAMIDATEGUANOSIN-3'-YL)_PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_2 |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H37N9Na2O15P2 |
| InChI | InChI=1S/C25H39N9O15P2.2Na/c1-42-7-8-44-6-4-29-50(38,45-10-13-9-14(35)22(47-13)33-5-3-16(26)30-25(33)37)49-18-15(11-46-51(39,40)41)48-23(19(18)43-2)34-12-28-17-20(34)31-24(27)32-21(17)36;;/h3,5,12-15,18-19,22-23,35H,4,6-11H2,1-2H3,(H,29,38)(H2,26,30,37)(H2,39,40,41)(H3,27,31,32,36);;/q;2*+1/p-2 |
| InChIKey | FJFJZFBBNYQSQK-UHFFFAOYSA-L |
| 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 | 811.547 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ47507 |