| SpectraBase Compound ID | EUUL3tO70Xq |
|---|---|
| InChI | InChI=1S/C23H36N9O17P3.4Na/c1-43-17-16(13(9-46-52(40,41)42)48-21(17)32-10-26-15-18(32)29-22(25)30-19(15)34)49-50(36,27-4-2-6-44-51(37,38)39)45-8-11-7-12(33)20(47-11)31-5-3-14(24)28-23(31)35;;;;/h3,5,10-13,16-17,20-21,33H,2,4,6-9H2,1H3,(H,27,36)(H2,24,28,35)(H2,37,38,39)(H2,40,41,42)(H3,25,29,30,34);;;;/q;4*+1/p-4 |
| InChIKey | AOHIOINNRQFVNQ-UHFFFAOYSA-J |
| Mol Weight | 891.4 g/mol |
| Molecular Formula | C23H32N9Na4O17P3 |
| Exact Mass | 891.071979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GWLJONKPPm |
|---|---|
| Name | O-(3'-DEOXYCYTIDIN-5'-YL)-O-(2'-O-METHYL-5'-O-PHOSPHORYLGUANOSIN-3'-YL)-N-(3-PHOSPHORYLOXYPROPYL)_PHOSPHORAMIDATE_SODIUM_SALT;ISOMER_2 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H32N9Na4O17P3 |
| InChI | InChI=1S/C23H36N9O17P3.4Na/c1-43-17-16(13(9-46-52(40,41)42)48-21(17)32-10-26-15-18(32)29-22(25)30-19(15)34)49-50(36,27-4-2-6-44-51(37,38)39)45-8-11-7-12(33)20(47-11)31-5-3-14(24)28-23(31)35;;;;/h3,5,10-13,16-17,20-21,33H,2,4,6-9H2,1H3,(H,27,36)(H2,24,28,35)(H2,37,38,39)(H2,40,41,42)(H3,25,29,30,34);;;;/q;4*+1/p-4 |
| InChIKey | AOHIOINNRQFVNQ-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 | 891.438 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ47503 |