| SpectraBase Compound ID | 91P9Lcpw627 |
|---|---|
| InChI | InChI=1S/C20H26N11O9P/c21-15-10-17(25-3-23-15)30(5-27-10)19-13(34)9(7(1-32)39-19)29-41(36,37)38-2-8-12(33)14(35)20(40-8)31-6-28-11-16(22)24-4-26-18(11)31/h3-9,12-14,19-20,32-35H,1-2H2,(H2,21,23,25)(H2,22,24,26)(H2,29,36,37)/t7-,8-,9-,12-,13-,14-,19-,20-/m1/s1 |
| InChIKey | USVLTTUBBGONSQ-JWQMXRISSA-N |
| Mol Weight | 595.47 g/mol |
| Molecular Formula | C20H26N11O9P |
| Exact Mass | 595.165258 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9nZRSLjK37b |
|---|---|
| Name | 5'-(3'-AMINO-3'-DEOXYADENOSIN-3'-YLPHOSPHORYL)ADENOSINE |
| Comments | , SCALE INVERTED! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H26N11O9P |
| InChI | InChI=1S/C20H26N11O9P/c21-15-10-17(25-3-23-15)30(5-27-10)19-13(34)9(7(1-32)39-19)29-41(36,37)38-2-8-12(33)14(35)20(40-8)31-6-28-11-16(22)24-4-26-18(11)31/h3-9,12-14,19-20,32-35H,1-2H2,(H2,21,23,25)(H2,22,24,26)(H2,29,36,37)/t7-,8-,9-,12-,13-,14-,19-,20-/m1/s1 |
| InChIKey | USVLTTUBBGONSQ-JWQMXRISSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | A.V.AZHAEV, A.M.OZOLS, A.A.KRAEVSKY, N.V.GNUCHEV, B.P.GOTTIKH (1982)Bioorganich.Khim.(Russ. Lang.): v.8, N9, 1218-1224. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O deuterium oxide |