| SpectraBase Compound ID | G40N5o0p9jl |
|---|---|
| InChI | InChI=1S/C10H15N5O10P2.K.2H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;2*1H2/q;+1;;/p-1/t4-,6-,7-,10-;;;/m1.../s1 |
| InChIKey | HFCXEPLDPMALMF-MSQVLRTGSA-M |
| Mol Weight | 501.323 g/mol |
| Molecular Formula | C10H18KN5O12P2 |
| Exact Mass | 501.006427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50Wd1kgW1xg |
|---|---|
| Name | ADENOSINE 5'-(TRIHYDROGEN PYROPHOSPHATE), MONOPOTASSIUMSALT, DIHYDRATE |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 72696-48-1 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H14KN5O10P2 2H2O |
| InChI | InChI=1S/C10H15N5O10P2.K.2H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;2*1H2/q;+1;;/p-1/t4-,6-,7-,10-;;;/m1.../s1 |
| InChIKey | HFCXEPLDPMALMF-MSQVLRTGSA-M |
| Molecular Weight | 501.33 |
| Solvent | Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20 |