| SpectraBase Compound ID | GrwXtd25Ftm |
|---|---|
| InChI | InChI=1S/C12H17F2N5O9P2S/c1-31-11-17-8(15)5-9(18-11)19(3-16-5)10-7(21)6(20)4(28-10)2-27-30(25,26)12(13,14)29(22,23)24/h3-4,6-7,10,20-21H,2H2,1H3,(H,25,26)(H2,15,17,18)(H2,22,23,24)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | PLBBQVYTRYDROT-KQYNXXCUSA-N |
| Mol Weight | 507.3 g/mol |
| Molecular Formula | C12H17F2N5O9P2S |
| Exact Mass | 507.019029 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Ia0WUdZEoQ |
|---|---|
| Name | 2-MES-ADENOSINE-5'-O-DIPHOSPHATE-ALPHA,BETA-DIFLUOROMETHYLENE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H14F2N5O9P2S |
| InChI | InChI=1S/C12H17F2N5O9P2S/c1-31-11-17-8(15)5-9(18-11)19(3-16-5)10-7(21)6(20)4(28-10)2-27-30(25,26)12(13,14)29(22,23)24/h3-4,6-7,10,20-21H,2H2,1H3,(H,25,26)(H2,15,17,18)(H2,22,23,24)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | PLBBQVYTRYDROT-KQYNXXCUSA-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 | UWMZ46387 |