| SpectraBase Compound ID | 7AILPUBXQbj |
|---|---|
| InChI | InChI=1S/C21H24N5O6P/c1-4-29-33(28,30-5-2)32-16-11-17(31-14(16)3)26-13-24-18-19(22-12-23-20(18)26)25-21(27)15-9-7-6-8-10-15/h6-10,12-13,16-17H,3-5,11H2,1-2H3,(H,22,23,25,27)/t16-,17+/m1/s1/i28+1 |
| InChIKey | HIINNKKNNYNJCV-FVFANZGXSA-N |
| Mol Weight | 474.43 g/mol |
| Molecular Formula | C21H24N5O517OP |
| Exact Mass | 474.150638 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DeGrNnAj8KF |
|---|---|
| Name | (17)O-LABELED-6N-BENZOYL-9-(2,5-DIDEOXY-3-O-DIETHYLPHOPSPHORYL-BETA-D-GLYCERO-PENT-4-ENOFURANOSYL)-ADENINE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H24N5O517OP |
| InChI | InChI=1S/C21H24N5O6P/c1-4-29-33(28,30-5-2)32-16-11-17(31-14(16)3)26-13-24-18-19(22-12-23-20(18)26)25-21(27)15-9-7-6-8-10-15/h6-10,12-13,16-17H,3-5,11H2,1-2H3,(H,22,23,25,27)/t16-,17+/m1/s1/i28+1 |
| InChIKey | HIINNKKNNYNJCV-FVFANZGXSA-N |
| Literature Reference Author | D.CRICH,W.HUANG |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,9239(2001) |
| Literature Reference DOI | 10.1021/ja010841l |
| Solvent | CDCl3 |
| Source File Reference | UWLU33207 |