![2-MES-ADENOSINE-5',5'''-[P,P'-DIFLUOROMETHYLENE_BISPHOSPHONATE]](/api/spectrum/7Nu22qREvzS/structure.png?h=300&w=458 "2-MES-ADENOSINE-5',5'''-[P,P'-DIFLUOROMETHYLENE_BISPHOSPHONATE]")
| SpectraBase Compound ID | 4Z9qxqyYPQz |
|---|---|
| InChI | InChI=1S/C23H30F2N10O12P2S2/c1-50-21-30-15(26)9-17(32-21)34(5-28-9)19-13(38)11(36)7(46-19)3-44-48(40,41)23(24,25)49(42,43)45-4-8-12(37)14(39)20(47-8)35-6-29-10-16(27)31-22(51-2)33-18(10)35/h5-8,11-14,19-20,36-39H,3-4H2,1-2H3,(H,40,41)(H,42,43)(H2,26,30,32)(H2,27,31,33)/t7-,8+,11-,12+,13-,14+,19-,20+ |
| InChIKey | LEQRYQXUEMBGGF-WGIMJHEJSA-N |
| Mol Weight | 802.62 g/mol |
| Molecular Formula | C23H30F2N10O12P2S2 |
| Exact Mass | 802.092939 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Nu22qREvzS |
|---|---|
| Name | 2-MES-ADENOSINE-5',5'''-[P,P'-DIFLUOROMETHYLENE_BISPHOSPHONATE] |
| Compound Number | 38 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28F2N10O12P2S2 |
| InChI | InChI=1S/C23H30F2N10O12P2S2/c1-50-21-30-15(26)9-17(32-21)34(5-28-9)19-13(38)11(36)7(46-19)3-44-48(40,41)23(24,25)49(42,43)45-4-8-12(37)14(39)20(47-8)35-6-29-10-16(27)31-22(51-2)33-18(10)35/h5-8,11-14,19-20,36-39H,3-4H2,1-2H3,(H,40,41)(H,42,43)(H2,26,30,32)(H2,27,31,33)/t7-,8+,11-,12+,13-,14+,19-,20+ |
| InChIKey | LEQRYQXUEMBGGF-WGIMJHEJSA-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 | UWMZ46388 |