| SpectraBase Compound ID | 1O8cPGOFq1S |
|---|---|
| InChI | InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-29(21,22)27-30(23,31)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,30?/m1/s1 |
| InChIKey | XGAOYVYIONYFMI-VWJVIAGJSA-N |
| Mol Weight | 523.24 g/mol |
| Molecular Formula | C10H16N5O12P3S |
| Exact Mass | 522.972903 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJRKjAXlAs0 |
|---|---|
| Name | ADENOSINE-5'-BETA-THIONOTRIPHOSPHATE (DIASTEREOMER 2) |
| Comments | , PH=8.1. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C10H16N5O12P3S |
| InChI | InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-29(21,22)27-30(23,31)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,30?/m1/s1 |
| InChIKey | XGAOYVYIONYFMI-VWJVIAGJSA-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 |