| SpectraBase Compound ID | 3d9jS15jPbu |
|---|---|
| InChI | InChI=1S/C13H20F2N5O11P3S/c1-32(23,31-34(27,28)13(14,15)33(24,25)26)29-3-5-7(21)8(22)11(30-5)20-4-17-6-9(16)18-12(35-2)19-10(6)20/h4-5,7-8,11,21-22H,3H2,1-2H3,(H,27,28)(H2,16,18,19)(H2,24,25,26)/t5-,7-,8-,11-,32?/m1/s1 |
| InChIKey | KLFCNFBPYJAEEV-GHOYLPCTSA-N |
| Mol Weight | 585.31 g/mol |
| Molecular Formula | C13H20F2N5O11P3S |
| Exact Mass | 585.006095 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mkRfgZHhvZ |
|---|---|
| Name | 2-MES-ADENOSINE-5'-O-TRIPHOSPHATE-BETA,GAMMA-METHYLENE-CF2;REFERENCE-43 |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H17F2N5O11P3S |
| InChI | InChI=1S/C13H20F2N5O11P3S/c1-32(23,31-34(27,28)13(14,15)33(24,25)26)29-3-5-7(21)8(22)11(30-5)20-4-17-6-9(16)18-12(35-2)19-10(6)20/h4-5,7-8,11,21-22H,3H2,1-2H3,(H,27,28)(H2,16,18,19)(H2,24,25,26)/t5-,7-,8-,11-,32?/m1/s1 |
| InChIKey | KLFCNFBPYJAEEV-GHOYLPCTSA-N |
| Literature Reference Author | S.ELIAHU,A.MARTIN-GIL,M.J.P.DELARA,J.PINTOR,J.CAMDEN,G.A.WEI SMAN,J.LECKA,J.SEVIG |
| Literature Reference Citation | J.MED.CHEM.,53,3305(2010) |
| Literature Reference DOI | 10.1021/jm100030u |
| Solvent | D2O |
| Source File Reference | UWIR18010 |