PHOSPHONATE](/api/spectrum/1QEt2IbyWl6/structure.png?h=300&w=458 "SYMM-P1,P4-BIS[(5'-ADENOSYL)PHOSPHO](BETA-OXO-ALPHA-PHOSPHONOPROPYL)PHOSPHONATE")
| SpectraBase Compound ID | BAx4srVANY4 |
|---|---|
| InChI | InChI=1S/C23H32N10O19P4/c1-8(34)23(53(39,40)51-55(43,44)47-2-9-13(35)15(37)21(49-9)32-6-30-11-17(24)26-4-28-19(11)32)54(41,42)52-56(45,46)48-3-10-14(36)16(38)22(50-10)33-7-31-12-18(25)27-5-29-20(12)33/h4-7,9-10,13-16,21-23,35-38H,2-3H2,1H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,24,26,28)(H2,25,27,29)/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1 |
| InChIKey | LJIUCUVTXLFCBG-LAMCKDNKSA-N |
| Mol Weight | 876.5 g/mol |
| Molecular Formula | C23H32N10O19P4 |
| Exact Mass | 876.079567 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1QEt2IbyWl6 |
|---|---|
| Name | SYMM-P1,P4-BIS[(5'-ADENOSYL)PHOSPHO](BETA-OXO-ALPHA-PHOSPHONOPROPYL)PHOSPHONATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C23H32N10O19P4 |
| InChI | InChI=1S/C23H32N10O19P4/c1-8(34)23(53(39,40)51-55(43,44)47-2-9-13(35)15(37)21(49-9)32-6-30-11-17(24)26-4-28-19(11)32)54(41,42)52-56(45,46)48-3-10-14(36)16(38)22(50-10)33-7-31-12-18(25)27-5-29-20(12)33/h4-7,9-10,13-16,21-23,35-38H,2-3H2,1H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,24,26,28)(H2,25,27,29)/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1 |
| InChIKey | LJIUCUVTXLFCBG-LAMCKDNKSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | N.B.TARUSOVA, N.O.KONDRAT'EVA, T.V.TYRTYSH, V.P.TIMOFEEV, N.V.GNUCHEV (1988)Zhurn.Org.Khim.(Russ. Lang.): v.24, N7, 1474-1480. |
| NMR Standard | H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O deuterium oxide |