![O-(3'-DEOXYCYTIDIN-5'-YL)-O-(2'-O-METHYL-5'-O-PHOSPHORYLGUANOSIN-3'-YL)-N-[3-(MALON-2-YL)-PROPYL]-PHOSPHORYLAMIDATE_SODIUM_SALT;ISOMER_1](/api/spectrum/7eOhbBuButj/structure.png?h=300&w=458 "O-(3'-DEOXYCYTIDIN-5'-YL)-O-(2'-O-METHYL-5'-O-PHOSPHORYLGUANOSIN-3'-YL)-N-[3-(MALON-2-YL)-PROPYL]-PHOSPHORYLAMIDATE_SODIUM_SALT;ISOMER_1")
| SpectraBase Compound ID | Lmxxn881iVZ |
|---|---|
| InChI | InChI=1S/C26H37N9O17P2.4Na/c1-47-18-17(14(9-49-54(44,45)46)51-22(18)35-10-29-16-19(35)32-25(28)33-20(16)37)52-53(43,30-5-2-3-12(23(38)39)24(40)41)48-8-11-7-13(36)21(50-11)34-6-4-15(27)31-26(34)42;;;;/h4,6,10-14,17-18,21-22,36H,2-3,5,7-9H2,1H3,(H,30,43)(H,38,39)(H,40,41)(H2,27,31,42)(H2,44,45,46)(H3,28,32,33,37);;;;/q;4*+1/p-4 |
| InChIKey | VUNQPIOJTKCNPK-UHFFFAOYSA-J |
| Mol Weight | 897.5 g/mol |
| Molecular Formula | C26H33N9Na4O17P2 |
| Exact Mass | 897.106042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7eOhbBuButj |
|---|---|
| Name | O-(3'-DEOXYCYTIDIN-5'-YL)-O-(2'-O-METHYL-5'-O-PHOSPHORYLGUANOSIN-3'-YL)-N-[3-(MALON-2-YL)-PROPYL]-PHOSPHORYLAMIDATE_SODIUM_SALT;ISOMER_1 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H33N9Na4O17P2 |
| InChI | InChI=1S/C26H37N9O17P2.4Na/c1-47-18-17(14(9-49-54(44,45)46)51-22(18)35-10-29-16-19(35)32-25(28)33-20(16)37)52-53(43,30-5-2-3-12(23(38)39)24(40)41)48-8-11-7-13(36)21(50-11)34-6-4-15(27)31-26(34)42;;;;/h4,6,10-14,17-18,21-22,36H,2-3,5,7-9H2,1H3,(H,30,43)(H,38,39)(H,40,41)(H2,27,31,42)(H2,44,45,46)(H3,28,32,33,37);;;;/q;4*+1/p-4 |
| InChIKey | VUNQPIOJTKCNPK-UHFFFAOYSA-J |
| 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 | 897.505 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ47504 |