| SpectraBase Compound ID | AriTCl1rjcp |
|---|---|
| InChI | InChI=1S/C11H15F2N2O8P.2Na/c1-4-2-15(10(19)14-8(4)18)9-7(17)6(5(3-16)23-9)11(12,13)24(20,21)22;;/h2,5-7,9,16-17H,3H2,1H3,(H,14,18,19)(H2,20,21,22);;/q;2*+1/p-2/t5-,6-,7-,9-;;/m0../s1 |
| InChIKey | XZPFCLWNYPBCOT-IOTUCONCSA-L |
| Mol Weight | 416.18110689 g/mol |
| Molecular Formula | C11H13F2N2Na2O8P |
| Exact Mass | 416.017297 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5UUCSPgSyqt |
|---|---|
| Name | 1-N-(3-DEOXY-3-(DIHYDROXYPHOSPHONO)-DIFLUOROMETHYL-BETA-D-RIBOFURANOSYL)-THYMINE-DISODIUM-SALT |
| Compound Number | 7 C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H13F2N2Na2O8P |
| InChI | InChI=1S/C11H15F2N2O8P.2Na/c1-4-2-15(10(19)14-8(4)18)9-7(17)6(5(3-16)23-9)11(12,13)24(20,21)22;;/h2,5-7,9,16-17H,3H2,1H3,(H,14,18,19)(H2,20,21,22);;/q;2*+1/p-2/t5-,6-,7-,9-;;/m0../s1 |
| InChIKey | XZPFCLWNYPBCOT-IOTUCONCSA-L |
| Literature Reference Author | C.LOPIN,A.GAUTIER,G.COUHIER,S.R.PIETTRE |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,14668(2002) |
| Literature Reference DOI | 10.1021/ja027850u |
| Solvent | D2O |
| Source File Reference | UWLU47103 |