| SpectraBase Compound ID | 8LH7aKMfbK8 |
|---|---|
| InChI | InChI=1S/C23H35N9O14P2.2Na/c1-40-6-4-27-47(36,42-8-11-7-12(33)20(44-11)31-5-3-14(24)28-23(31)35)46-16-13(9-43-48(37,38)39)45-21(17(16)41-2)32-10-26-15-18(32)29-22(25)30-19(15)34;;/h3,5,10-13,16-17,20-21,33H,4,6-9H2,1-2H3,(H,27,36)(H2,24,28,35)(H2,37,38,39)(H3,25,29,30,34);;/q;2*+1/p-2 |
| InChIKey | IOEFDNPNZUOGDM-UHFFFAOYSA-L |
| Mol Weight | 767.5 g/mol |
| Molecular Formula | C23H33N9Na2O14P2 |
| Exact Mass | 767.141759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85HUxgoIgTM |
|---|---|
| Name | O-(3'-DEOXYCYTIDIN-5'-YL)-N-(2-METHOXYETHYL)-O--(2'-O-METHYL-5'-O-PHOSPHORYL_GUANOSIN-3'-YL)_PHOSPHORAMIDE_SODIUM_SALT;ISOMER_1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H33N9Na2O14P2 |
| InChI | InChI=1S/C23H35N9O14P2.2Na/c1-40-6-4-27-47(36,42-8-11-7-12(33)20(44-11)31-5-3-14(24)28-23(31)35)46-16-13(9-43-48(37,38)39)45-21(17(16)41-2)32-10-26-15-18(32)29-22(25)30-19(15)34;;/h3,5,10-13,16-17,20-21,33H,4,6-9H2,1-2H3,(H,27,36)(H2,24,28,35)(H2,37,38,39)(H3,25,29,30,34);;/q;2*+1/p-2 |
| InChIKey | IOEFDNPNZUOGDM-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 | 767.494 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ47492 |