| SpectraBase Compound ID | 884Hbi5d2Nq |
|---|---|
| InChI | InChI=1S/C23H28F2N4O12P2/c24-16-18(30)14(40-22(16)28-5-1-3-12(7-28)20(26)32)9-38-42(34,35)11-43(36,37)39-10-15-19(31)17(25)23(41-15)29-6-2-4-13(8-29)21(27)33/h1-8,14-19,22-23,30-31H,9-11H2,(H4-2,26,27,32,33,34,35,36,37)/p+2/t14-,15+,16+,17-,18-,19+,22-,23+ |
| InChIKey | WJSPIWSQNYBSJC-OSCOEVSYSA-P |
| Mol Weight | 654.45 g/mol |
| Molecular Formula | C23H30F2N4O12P2 |
| Exact Mass | 654.130353 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZjuTs9JZmi |
|---|---|
| Name | BIS-(2'-DEOXY-2'-FLUORO-BETA-NICOTINAMIDE-ARABINOSYL)-METHYLENEDIPHOSPHONATE |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28F2N4O12P2 |
| InChI | InChI=1S/C23H28F2N4O12P2/c24-16-18(30)14(40-22(16)28-5-1-3-12(7-28)20(26)32)9-38-42(34,35)11-43(36,37)39-10-15-19(31)17(25)23(41-15)29-6-2-4-13(8-29)21(27)33/h1-8,14-19,22-23,30-31H,9-11H2,(H4-2,26,27,32,33,34,35,36,37)/p+2/t14-,15+,16+,17-,18-,19+,22-,23+ |
| InChIKey | WJSPIWSQNYBSJC-OSCOEVSYSA-P |
| Literature Reference Author | S.WANG,W.ZHU,X.WANG,J.LI,K.ZHANG,L.ZHANG,Y.J.ZHAO,H.C.LEE,L. ZHANG |
| Literature Reference Citation | MOLECULES,19,15754(2014) |
| Literature Reference DOI | 10.3390/molecules191015754 |
| Solvent | D2O |
| Source File Reference | UWLU81452 |