| SpectraBase Compound ID | FfJevOXYX6G |
|---|---|
| InChI | InChI=1S/C21H30N10O18P4/c22-16-10-18(26-3-24-16)30(5-28-10)20-14(34)12(32)8(46-20)1-44-52(40,41)48-50(36,37)7-51(38,39)49-53(42,43)45-2-9-13(33)15(35)21(47-9)31-6-29-11-17(23)25-4-27-19(11)31/h3-6,8-9,12-15,20-21,32-35H,1-2,7H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1 |
| InChIKey | YUVFOJNMZCEVNK-NAGRZYTCSA-N |
| Mol Weight | 834.42 g/mol |
| Molecular Formula | C21H30N10O18P4 |
| Exact Mass | 834.069002 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPpUxbcXiWm |
|---|---|
| Name | BIS(5'-ADENOSYLOXYPYROPHOSPHORYL)METHANE |
| Comments | , 31P-{1H}, SCALE INVERTED! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H30N10O18P4 |
| InChI | InChI=1S/C21H30N10O18P4/c22-16-10-18(26-3-24-16)30(5-28-10)20-14(34)12(32)8(46-20)1-44-52(40,41)48-50(36,37)7-51(38,39)49-53(42,43)45-2-9-13(33)15(35)21(47-9)31-6-29-11-17(23)25-4-27-19(11)31/h3-6,8-9,12-15,20-21,32-35H,1-2,7H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1 |
| InChIKey | YUVFOJNMZCEVNK-NAGRZYTCSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | N.B.TARUSOVA, V.V.SHUMYANTSEVA, A.S.KRYLOV, M.YA.KARPEISKY, R.M.KHOMUTOV (1983)Bioorganich.Khim.(Russ. Lang.): v.9, N6, 838-845. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |