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ADENOSINE-5'-O-(ALPHA-BORANOTRIPHOSPHATE)-BETA,GAMMA-CCL2
SpectraBase Compound ID GpU8r8pWcNY
InChI InChI=1S/C11H18BCl2N5O11P3/c12-33(27,30-32(25,26)11(13,14)31(22,23)24)28-1-4-6(20)7(21)10(29-4)19-3-18-5-8(15)16-2-17-9(5)19/h2-4,6-7,10,20-21H,1H2,12H3,(H,25,26)(H2,15,16,17)(H2,22,23,24)/q-1/t4-,6-,7-,10-,33?/m1/s1
InChIKey DNFPPINCZHGPHC-IVYUSGJDSA-N
Mol Weight 568.9 g/mol
Molecular Formula C11H16BCl2N5O11P3
Exact Mass 567.952928 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qNWFaCBieI
Name ADENOSINE-5'-O-(ALPHA-BORANOTRIPHOSPHATE)-BETA,GAMMA-CCL2
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13BCl2N5O11P3
InChI InChI=1S/C11H18BCl2N5O11P3/c12-33(27,30-32(25,26)11(13,14)31(22,23)24)28-1-4-6(20)7(21)10(29-4)19-3-18-5-8(15)16-2-17-9(5)19/h2-4,6-7,10,20-21H,1H2,12H3,(H,25,26)(H2,15,16,17)(H2,22,23,24)/q-1/t4-,6-,7-,10-,33?/m1/s1
InChIKey DNFPPINCZHGPHC-IVYUSGJDSA-N
Literature Reference Author S.ELIAHU,A.MARTIN-GIL,M.J.P.DELARA,J.PINTOR,J.CAMDEN,G.A.WEI SMAN,J.LECKA,J.SEVIG
Literature Reference Citation J.MED.CHEM.,53,3305(2010)
Literature Reference DOI 10.1021/jm100030u
Solvent D2O
Source File Reference UWMZ46384