| SpectraBase Compound ID | 6gdtKhN9fCc |
|---|---|
| InChI | InChI=1S/C14H20N7O9P.C2HF3O2/c15-5(14(25)26)1-7(22)20-31(27,28)29-2-6-9(23)10(24)13(30-6)21-4-19-8-11(16)17-3-18-12(8)21;3-2(4,5)1(6)7/h3-6,9-10,13,23-24H,1-2,15H2,(H,25,26)(H2,16,17,18)(H2,20,22,27,28);(H,6,7)/p-2/t5-,6-,9-,10-,13-;/m1./s1 |
| InChIKey | UKILQEGKLWFBCN-INAIHQNFSA-L |
| Mol Weight | 573.33 g/mol |
| Molecular Formula | C16H19F3N7O11P |
| Exact Mass | 573.083226 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7rmuKfceFXF |
|---|---|
| Name | O-(ADENOSINE-5'-O-YL)-N-(D-ASPARAGINYL)-PHOSPHORAMIDATE-TRIFLUOROACETATE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H19F3N7O11P |
| InChI | InChI=1S/C14H20N7O9P.C2HF3O2/c15-5(14(25)26)1-7(22)20-31(27,28)29-2-6-9(23)10(24)13(30-6)21-4-19-8-11(16)17-3-18-12(8)21;3-2(4,5)1(6)7/h3-6,9-10,13,23-24H,1-2,15H2,(H,25,26)(H2,16,17,18)(H2,20,22,27,28);(H,6,7)/p-2/t5-,6-,9-,10-,13-;/m1./s1 |
| InChIKey | UKILQEGKLWFBCN-INAIHQNFSA-L |
| Literature Reference Author | Y.DING,J.WANG,S.M.SCHUSTER,N.G.J.RICHARDS |
| Literature Reference Citation | J.ORG.CHEM.,67,4372(2002) |
| Literature Reference DOI | 10.1021/jo025510l |
| Solvent | D2O |
| Source File Reference | UWVN23207 |