| SpectraBase Compound ID | 4DxKh7yv181 |
|---|---|
| InChI | InChI=1S/C10H17BClN5O12P3.3Na/c11-30(20,28-32(24,25)29-31(21,22)23)26-1-3-5(18)6(19)9(27-3)17-2-14-4-7(13)15-10(12)16-8(4)17;;;/h2-3,5-6,9,18-19H,1H2,11H3,(H,24,25)(H2,13,15,16)(H2,21,22,23);;;/q-1;3*+1/p-2/t3-,5-,6-,9-,30?;;;/m0.../s1 |
| InChIKey | LQBILTFXIGQVHQ-NSKUHTMESA-L |
| Mol Weight | 603.39059384 g/mol |
| Molecular Formula | C10H13BClN5Na3O12P3 |
| Exact Mass | 602.924823 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8t2r56OwUL |
|---|---|
| Name | 2-CL-ATP-ALPHA-B;B-ISOMER |
| Compound Number | 8C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C10H12BClN5Na3O12P3 |
| InChI | InChI=1S/C10H17BClN5O12P3.3Na/c11-30(20,28-32(24,25)29-31(21,22)23)26-1-3-5(18)6(19)9(27-3)17-2-14-4-7(13)15-10(12)16-8(4)17;;;/h2-3,5-6,9,18-19H,1H2,11H3,(H,24,25)(H2,13,15,16)(H2,21,22,23);;;/q-1;3*+1/p-2/t3-,5-,6-,9-,30?;;;/m0.../s1 |
| InChIKey | LQBILTFXIGQVHQ-NSKUHTMESA-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 |
| Source File Reference | UWLU65671 |