| SpectraBase Compound ID | EIEdOgv3zQJ |
|---|---|
| InChI | InChI=1S/C10H18BN5O12P3.3Na/c11-29(19,27-31(23,24)28-30(20,21)22)25-1-4-6(17)7(18)10(26-4)16-3-15-5-8(12)13-2-14-9(5)16;;;/h2-4,6-7,10,17-18H,1H2,11H3,(H,23,24)(H2,12,13,14)(H2,20,21,22);;;/q-1;3*+1/p-2/t4-,6-,7-,10-,29?;;;/m0.../s1 |
| InChIKey | FIBDIRODUWHEIY-SBZCDYBGSA-L |
| Mol Weight | 568.94559384 g/mol |
| Molecular Formula | C10H14BN5Na3O12P3 |
| Exact Mass | 568.963795 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D838P1P5z4L |
|---|---|
| Name | ATP-ALPHA-B;A-ISOMER |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C10H13BN5Na3O12P3 |
| InChI | InChI=1S/C10H18BN5O12P3.3Na/c11-29(19,27-31(23,24)28-30(20,21)22)25-1-4-6(17)7(18)10(26-4)16-3-15-5-8(12)13-2-14-9(5)16;;;/h2-4,6-7,10,17-18H,1H2,11H3,(H,23,24)(H2,12,13,14)(H2,20,21,22);;;/q-1;3*+1/p-2/t4-,6-,7-,10-,29?;;;/m0.../s1 |
| InChIKey | FIBDIRODUWHEIY-SBZCDYBGSA-L |
| Literature Reference Author | V.NAHUM,G.ZUENDORF,S.A.LEVESQUE,A.R.BEAUDOIN,G.REISER,B.FISC HER |
| Literature Reference Citation | J.MED.CHEM.,45,5384(2002) |
| Literature Reference DOI | 10.1021/jm020251d |
| Solvent | D2O;PH=6.5 |
| Source File Reference | UWLU65666 |