| SpectraBase Compound ID | ECjqpeuJcJj |
|---|---|
| InChI | InChI=1S/C11H18N5O13P3/c1-25-30(19,20)28-32(23,24)29-31(21,22)26-2-5-7(17)8(18)11(27-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H,21,22)(H,23,24)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | PAVWGYOTPQBABL-IOSLPCCCSA-N |
| Mol Weight | 521.21 g/mol |
| Molecular Formula | C11H18N5O13P3 |
| Exact Mass | 521.011397 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AY0du29xHY6 |
|---|---|
| Name | Adenosine-5'-methyltriphosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 521.011396641 u |
| Formula | C11H18N5O13P3 |
| InChI | InChI=1S/C11H18N5O13P3/c1-25-30(19,20)28-32(23,24)29-31(21,22)26-2-5-7(17)8(18)11(27-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H,21,22)(H,23,24)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | PAVWGYOTPQBABL-IOSLPCCCSA-N |
| Molecular Weight | 521.208 g/mol |
| SMILES | OP(OP(OP(=O)(OC)O)(=O)O)(OC[C@]1(O[C@]([C@@]([C@@]1(O)[H])(O)[H])(N1C=Nc2c1ncnc2N)[H])[H])=O |