| SpectraBase Compound ID | Kdk9aKdaDE3 |
|---|---|
| InChI | InChI=1S/C10H14N5O6PS.2C6H13N/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(21-22(18,19)23)6(17)4(1-16)20-10;2*7-6-4-2-1-3-5-6/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23);2*6H,1-5,7H2/t4-,6-,7-,10-;;/m0../s1 |
| InChIKey | YXFRQTNHPAIOIH-MDQYBHOLSA-N |
| Mol Weight | 561.64 g/mol |
| Molecular Formula | C22H40N7O6PS |
| Exact Mass | 561.24984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5VMfvihU2S |
|---|---|
| Name | ADENOSINE-2'-PHOSPHORTHIOATE-BIS-CYCLOHEXYLAMINE-SALT |
| Compound Number | 3 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C10H14N5O6PS.2C6H13N/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(21-22(18,19)23)6(17)4(1-16)20-10;2*7-6-4-2-1-3-5-6/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23);2*6H,1-5,7H2/t4-,6-,7-,10-;;/m0../s1 |
| InChIKey | YXFRQTNHPAIOIH-MDQYBHOLSA-N |
| Literature Reference | A.G.COLE,D.GANI J.CHEM.SOC.PERKIN-1,2685(1995) |
| Solvent | Deuterium oxide |