| SpectraBase Compound ID | K02sEdF0aBF |
|---|---|
| InChI | InChI=1S/C11H17FN5O12P3/c12-11(30(20,21)22)31(23,24)29-32(25,26)27-1-4-6(18)7(19)10(28-4)17-3-16-5-8(13)14-2-15-9(5)17/h2-4,6-7,10-11,18-19H,1H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t4-,6-,7-,10-,11?/m1/s1 |
| InChIKey | ZTIZWGSVFAXQAU-XSOVWSCMSA-N |
| Mol Weight | 523.2 g/mol |
| Molecular Formula | C11H17FN5O12P3 |
| Exact Mass | 523.00706 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kzKthyf3iK |
|---|---|
| Name | ADENOSINE-5'-DIPHOSPHATOFLUOROMETHYLPHOSPHONATE |
| Comments | , PH=10. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H17FN5O12P3 |
| InChI | InChI=1S/C11H17FN5O12P3/c12-11(30(20,21)22)31(23,24)29-32(25,26)27-1-4-6(18)7(19)10(28-4)17-3-16-5-8(13)14-2-15-9(5)17/h2-4,6-7,10-11,18-19H,1H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t4-,6-,7-,10-,11?/m1/s1 |
| InChIKey | ZTIZWGSVFAXQAU-XSOVWSCMSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | H2O water |