phosphonate](/api/spectrum/1VYuYePeDw8/structure.png?h=300&w=458 "Symm-P1,P4-bis[(5'-adenosyl)phospho](beta-ethoxycarbonyl-alpha-phosphonoethyl)phosphonate")
| SpectraBase Compound ID | 5TwkHyZaGRw |
|---|---|
| InChI | InChI=1S/C24H34N10O20P4/c1-2-48-23(39)24(55(40,41)53-57(44,45)49-3-9-13(35)15(37)21(51-9)33-7-31-11-17(25)27-5-29-19(11)33)56(42,43)54-58(46,47)50-4-10-14(36)16(38)22(52-10)34-8-32-12-18(26)28-6-30-20(12)34/h5-10,13-16,21-22,24,35-38H,2-4H2,1H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H2,25,27,29)(H2,26,28,30)/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1 |
| InChIKey | ZWEYUWQENKGBSZ-LAMCKDNKSA-N |
| Mol Weight | 906.5 g/mol |
| Molecular Formula | C24H34N10O20P4 |
| Exact Mass | 906.090132 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1VYuYePeDw8 |
|---|---|
| Name | SYMM-P1,P4-BIS[(5'-ADENOSYL)PHOSPHO](BETA-ETHOXYCARBONYL-ALPHA-PHOSPHONOETHYL)PHOSPHONATE |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C24H34N10O20P4 |
| InChI | InChI=1S/C24H34N10O20P4/c1-2-48-23(39)24(55(40,41)53-57(44,45)49-3-9-13(35)15(37)21(51-9)33-7-31-11-17(25)27-5-29-19(11)33)56(42,43)54-58(46,47)50-4-10-14(36)16(38)22(52-10)34-8-32-12-18(26)28-6-30-20(12)34/h5-10,13-16,21-22,24,35-38H,2-4H2,1H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H2,25,27,29)(H2,26,28,30)/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1 |
| InChIKey | ZWEYUWQENKGBSZ-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 |