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PYRIDOXINE-ALPHA(4,5)-CYCLOMONOPHOSPHATE-6-AZOPHENYL-2'-CHLORO-5'-SULFONIC-ACID-MONOSODIUM-SALT
SpectraBase Compound ID 1tecK6NniIt
InChI InChI=1S/C14H13ClN3O8PS.Na/c1-7-13(19)9-5-25-27(20,21)26-6-10(9)14(16-7)18-17-12-4-8(28(22,23)24)2-3-11(12)15;/h2-4,19H,5-6H2,1H3,(H,20,21)(H,22,23,24);/q;+1/p-1/b18-17+;
InChIKey OXKACDYOOXQFLG-ZAGWXBKKSA-M
Mol Weight 471.74 g/mol
Molecular Formula C14H12ClN3NaO8PS
Exact Mass 470.966895 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9hpZA9mvUMY
Name PYRIDOXINE-ALPHA(4,5)-CYCLOMONOPHOSPHATE-6-AZOPHENYL-2'-CHLORO-5'-SULFONIC-ACID-MONOSODIUM-SALT
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12ClN3NaO8PS
InChI InChI=1S/C14H13ClN3O8PS.Na/c1-7-13(19)9-5-25-27(20,21)26-6-10(9)14(16-7)18-17-12-4-8(28(22,23)24)2-3-11(12)15;/h2-4,19H,5-6H2,1H3,(H,20,21)(H,22,23,24);/q;+1/p-1/b18-17+;
InChIKey OXKACDYOOXQFLG-ZAGWXBKKSA-M
Literature Reference Author Y.C.KIM,S.G.BROWN,T.K.HARDEN,J.L.BOYER,G.DUBYAK,B.F.KING,G.B URNSTOCK,K.A.JACOBSO
Literature Reference Citation J.MED.CHEM.,44,340(2001)
Literature Reference DOI 10.1021/jm9904203
Solvent D2O
Source File Reference UWSI43933