| SpectraBase Compound ID | 9tLkLXALqpW |
|---|---|
| InChI | InChI=1S/C26H38N9O12P.Na/c1-43-20-19(15(10-36)46-24(20)35-12-29-18-21(35)32-25(28)33-22(18)40)47-48(42,30-7-4-2-3-5-17(38)39)44-11-13-9-14(37)23(45-13)34-8-6-16(27)31-26(34)41;/h6,8,12-15,19-20,23-24,36-37H,2-5,7,9-11H2,1H3,(H,30,42)(H,38,39)(H2,27,31,41)(H3,28,32,33,40);/q;+1/p-1 |
| InChIKey | YWJCWOJTMPXPHC-UHFFFAOYSA-M |
| Mol Weight | 721.6 g/mol |
| Molecular Formula | C26H37N9NaO12P |
| Exact Mass | 721.219699 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCTQv9k3DGl |
|---|---|
| Name | O-(3'-DEOXYCYTIDIN-5'-YL)-O-(2'-O-METHYLGUANOSIN-3'-YL)-N-(5-CARBOXYPENTAL)-PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_1 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H37N9NaO12P |
| InChI | InChI=1S/C26H38N9O12P.Na/c1-43-20-19(15(10-36)46-24(20)35-12-29-18-21(35)32-25(28)33-22(18)40)47-48(42,30-7-4-2-3-5-17(38)39)44-11-13-9-14(37)23(45-13)34-8-6-16(27)31-26(34)41;/h6,8,12-15,19-20,23-24,36-37H,2-5,7,9-11H2,1H3,(H,30,42)(H,38,39)(H2,27,31,41)(H3,28,32,33,40);/q;+1/p-1 |
| InChIKey | YWJCWOJTMPXPHC-UHFFFAOYSA-M |
| 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 | 721.596 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ47500 |