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2-CL-ATP-ALPHA-B;A-ISOMER
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

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JabHk4GV0Kt
Name 2-CL-ATP-ALPHA-B;A-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 UWLU65670