| SpectraBase Compound ID | 5SywZyDKnqK |
|---|---|
| InChI | InChI=1S/C13H20N5O13P3/c1-5(19)13(32(22,23)24)33(25,26)31-34(27,28)29-2-6-8(20)9(21)12(30-6)18-4-17-7-10(14)15-3-16-11(7)18/h3-4,6,8-9,12-13,20-21H,2H2,1H3,(H,25,26)(H,27,28)(H2,14,15,16)(H2,22,23,24)/t6-,8-,9-,12-,13?/m1/s1 |
| InChIKey | RYWUSOIPMNGUMT-ANYBFRSCSA-N |
| Mol Weight | 547.25 g/mol |
| Molecular Formula | C13H20N5O13P3 |
| Exact Mass | 547.027047 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rLryheSSKz |
|---|---|
| Name | ADENOSYL-5'-PHOSPHO-(BETA-OXO-ALPHA-PHOSPHONOPROPYL)PHOSPHONATE |
| Comments | , 31P-{1H} |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H20N5O13P3 |
| InChI | InChI=1S/C13H20N5O13P3/c1-5(19)13(32(22,23)24)33(25,26)31-34(27,28)29-2-6-8(20)9(21)12(30-6)18-4-17-7-10(14)15-3-16-11(7)18/h3-4,6,8-9,12-13,20-21H,2H2,1H3,(H,25,26)(H,27,28)(H2,14,15,16)(H2,22,23,24)/t6-,8-,9-,12-,13?/m1/s1 |
| InChIKey | RYWUSOIPMNGUMT-ANYBFRSCSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | T.V.TYRTYSH, N.B.TARUSOVA (1986) Bioorganich.Khim.(Russ. Lang.): v.12, N9, 1282-1285. |
| NMR Standard | H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O deuterium oxide |