| SpectraBase Compound ID | 6tbq32HvHuq |
|---|---|
| InChI | InChI=1S/C22H29FN6O14P2/c1-38-20-14-19(25-8-26-20)29(9-27-14)22-17(32)16(31)12(42-22)7-40-45(36,37)43-44(34,35)39-6-11-15(30)13(23)21(41-11)28-4-2-3-10(5-28)18(24)33/h2-5,8-9,11-17,19,21-22,30-32H,6-7H2,1H3,(H3-,24,33,34,35,36,37)/p+1/t11-,12-,13+,14?,15-,16-,17-,19?,21-,22-/m0/s1 |
| InChIKey | NJYPVKMCCXABGG-ACWKQEKMSA-O |
| Mol Weight | 683.46 g/mol |
| Molecular Formula | C22H30FN6O14P2 |
| Exact Mass | 683.127927 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErqvhpWQ96i |
|---|---|
| Name | 2'-DEOXY-2'-FLUORO-ARABINOSYL-BETA-NICOTINAMIDE-6-O-METHYL-HYPOXANTHINE-DINUCLEOTIDE |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28FN6O14P2 |
| InChI | InChI=1S/C22H29FN6O14P2/c1-38-20-14-19(25-8-26-20)29(9-27-14)22-17(32)16(31)12(42-22)7-40-45(36,37)43-44(34,35)39-6-11-15(30)13(23)21(41-11)28-4-2-3-10(5-28)18(24)33/h2-5,8-9,11-17,19,21-22,30-32H,6-7H2,1H3,(H3-,24,33,34,35,36,37)/p+1/t11-,12-,13+,14?,15-,16-,17-,19?,21-,22-/m0/s1 |
| InChIKey | NJYPVKMCCXABGG-ACWKQEKMSA-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 | UWLU81450 |