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ADENOSINE-5'-(ALPHA-P-BORANO)-TRIPHOSPHATE;ISOMER-II
SpectraBase Compound ID BHcQ6KSoSqF
InChI InChI=1S/C10H18BN5O12P3/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/p-3/t4-,6-,7-,10-,29?/m0/s1
InChIKey AOVKXBSIZAGYJL-KAASYALXSA-K
Mol Weight 499.0 g/mol
Molecular Formula C10H13BN5O12P3
Exact Mass 498.986662 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J0IcG40tSwi
Name ADENOSINE-5'-(ALPHA-P-BORANO)-TRIPHOSPHATE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13BN5O12P3
InChI InChI=1S/C10H18BN5O12P3/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/p-3/t4-,6-,7-,10-,29?/m0/s1
InChIKey AOVKXBSIZAGYJL-KAASYALXSA-K
Literature Reference Author K.HE,A.HASAN,B.KRZYZANOWSKA,B.R.SHAW
Literature Reference Citation J.ORG.CHEM.,63,5769(1998)
Literature Reference DOI 10.1021/jo972002g
Solvent D2O
Source File Reference UWSI28689