![O-(3'-DEOXYCYTIDIN-5'-YL)-O(2'-O-METHYLGUANOSIN-3'-YL)-N-[3-(MALON-2-YL)-PROPYL]-PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_2](/api/spectrum/8Ma8eccam2O/structure.png?h=300&w=458 "O-(3'-DEOXYCYTIDIN-5'-YL)-O(2'-O-METHYLGUANOSIN-3'-YL)-N-[3-(MALON-2-YL)-PROPYL]-PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_2")
| SpectraBase Compound ID | 6324U9uac69 |
|---|---|
| InChI | InChI=1S/C26H36N9O14P.2Na/c1-45-18-17(14(8-36)48-22(18)35-10-29-16-19(35)32-25(28)33-20(16)38)49-50(44,30-5-2-3-12(23(39)40)24(41)42)46-9-11-7-13(37)21(47-11)34-6-4-15(27)31-26(34)43;;/h4,6,10-14,17-18,21-22,36-37H,2-3,5,7-9H2,1H3,(H,30,44)(H,39,40)(H,41,42)(H2,27,31,43)(H3,28,32,33,38);;/q;2*+1/p-2 |
| InChIKey | UNESYFJIAPTYCS-UHFFFAOYSA-L |
| Mol Weight | 773.6 g/mol |
| Molecular Formula | C26H34N9Na2O14P |
| Exact Mass | 773.175822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Ma8eccam2O |
|---|---|
| Name | O-(3'-DEOXYCYTIDIN-5'-YL)-O(2'-O-METHYLGUANOSIN-3'-YL)-N-[3-(MALON-2-YL)-PROPYL]-PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_2 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H34N9Na2O14P |
| InChI | InChI=1S/C26H36N9O14P.2Na/c1-45-18-17(14(8-36)48-22(18)35-10-29-16-19(35)32-25(28)33-20(16)38)49-50(44,30-5-2-3-12(23(39)40)24(41)42)46-9-11-7-13(37)21(47-11)34-6-4-15(27)31-26(34)43;;/h4,6,10-14,17-18,21-22,36-37H,2-3,5,7-9H2,1H3,(H,30,44)(H,39,40)(H,41,42)(H2,27,31,43)(H3,28,32,33,38);;/q;2*+1/p-2 |
| InChIKey | UNESYFJIAPTYCS-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 | 773.561 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ47499 |