| SpectraBase Compound ID | ALgWvgTAwQu |
|---|---|
| InChI | InChI=1S/C10H14F2N3O7P.2Na/c11-10(12,23(19,20)21)6-4(3-16)22-8(7(6)17)15-2-1-5(13)14-9(15)18;;/h1-2,4,6-8,16-17H,3H2,(H2,13,14,18)(H2,19,20,21);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m0../s1 |
| InChIKey | UMAOMDJYUYKJNW-BOLMMPPXSA-L |
| Mol Weight | 401.17010689 g/mol |
| Molecular Formula | C10H12F2N3Na2O7P |
| Exact Mass | 401.017632 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DGvG2RmqGkL |
|---|---|
| Name | 1-N-(3-DEOXY-3-(DIHYDROXYPHOSPHONO)-DIFLUOROMETHYL-BETA-D-RIBOFURANOSYL)-CYTOSINE-DISODIUM-SALT |
| Compound Number | 9C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C10H12F2N3Na2O7P |
| InChI | InChI=1S/C10H14F2N3O7P.2Na/c11-10(12,23(19,20)21)6-4(3-16)22-8(7(6)17)15-2-1-5(13)14-9(15)18;;/h1-2,4,6-8,16-17H,3H2,(H2,13,14,18)(H2,19,20,21);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m0../s1 |
| InChIKey | UMAOMDJYUYKJNW-BOLMMPPXSA-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 | UWLU47105 |