| SpectraBase Compound ID | InQemEzuIY8 |
|---|---|
| InChI | InChI=1S/C21H25FN6O14P2/c22-12-14(29)10(40-20(12)27-3-1-2-9(4-27)17(23)32)5-38-43(34,35)42-44(36,37)39-6-11-15(30)16(31)21(41-11)28-8-26-13-18(28)24-7-25-19(13)33/h1-4,7-8,10-12,14-16,20-21,29-31H,5-6H2,(H4-,23,24,25,32,33,34,35,36,37)/p+1/t10-,11-,12+,14-,15-,16-,20-,21-/m0/s1 |
| InChIKey | WYJODGJRUZKLAY-ZGDOKRSQSA-O |
| Mol Weight | 667.41 g/mol |
| Molecular Formula | C21H26FN6O14P2 |
| Exact Mass | 667.096627 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LdmlwsulVrr |
|---|---|
| Name | 2'-DEOXY-2'-FLUORO-ARABINOSYL-BETA-NICOTINAMIDE-HYPOXANTHINE-DINUCLEOTIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H24FN6O14P2 |
| InChI | InChI=1S/C21H25FN6O14P2/c22-12-14(29)10(40-20(12)27-3-1-2-9(4-27)17(23)32)5-38-43(34,35)42-44(36,37)39-6-11-15(30)16(31)21(41-11)28-8-26-13-18(28)24-7-25-19(13)33/h1-4,7-8,10-12,14-16,20-21,29-31H,5-6H2,(H4-,23,24,25,32,33,34,35,36,37)/p+1/t10-,11-,12+,14-,15-,16-,20-,21-/m0/s1 |
| InChIKey | WYJODGJRUZKLAY-ZGDOKRSQSA-O |
| 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 | UWLU81448 |