| SpectraBase Compound ID | HQ02oZpX2nI |
|---|---|
| InChI | InChI=1S/C20H25N10O9PS/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(38-19)2-36-40(35,41)39-14-7(1-31)37-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,41)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-,40?/m1/s1 |
| InChIKey | YJOLYRGOINBELN-FBFQDNEDSA-N |
| Mol Weight | 612.51 g/mol |
| Molecular Formula | C20H25N10O9PS |
| Exact Mass | 612.126431 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EnQsxM0e6yX |
|---|---|
| Name | 5'-O-(ADENOSIN-3'-YLOXYTHIOPHOSPHORYL)ADENOSINE (DIASTEREOMER MIXTURE) |
| Comments | , PH=8. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H25N10O9PS |
| InChI | InChI=1S/C20H25N10O9PS/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(38-19)2-36-40(35,41)39-14-7(1-31)37-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,41)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-,40?/m1/s1 |
| InChIKey | YJOLYRGOINBELN-FBFQDNEDSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | H2O water |