| SpectraBase Compound ID | 4O86WQ22lGd |
|---|---|
| InChI | InChI=1S/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1 |
| InChIKey | TTWYZDPBDWHJOR-IDIVVRGQSA-L |
| Mol Weight | 551.14482456 g/mol |
| Molecular Formula | C10H14N5Na2O13P3 |
| Exact Mass | 550.959635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5r7crroqgO0 |
|---|---|
| Name | ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), DISODIUM SALT,HYDRATED |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 987-65-5 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H14N5Na2O13P3 xH2O |
| InChI | InChI=1S/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1 |
| InChIKey | TTWYZDPBDWHJOR-IDIVVRGQSA-L |
| Molecular Weight | 551.15 + x(H2O) |
| Solvent | Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20 |