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O(3)-ACETYL-PYRIDOXINE-ALPHA(4,5)-CYCLOMONOPHOSPHATE-6-AZOPHENYL-2',5'-DISULFONIC-ACID-MONOTRIETHYLAMINE-DISODIUM-SALT
SpectraBase Compound ID Dmev6gl7Z2b
InChI InChI=1S/C16H16N3O12PS2.C6H15N.2Na/c1-8-15(31-9(2)20)11-6-29-32(21,22)30-7-12(11)16(17-8)19-18-13-5-10(33(23,24)25)3-4-14(13)34(26,27)28;1-4-7(5-2)6-3;;/h3-5H,6-7H2,1-2H3,(H,21,22)(H,23,24,25)(H,26,27,28);4-6H2,1-3H3;;/q;;2*+1/p-2/b19-18+;;;
InChIKey LZGLITGMZRTDHO-HRBIVCMLSA-L
Mol Weight 682.56330056 g/mol
Molecular Formula C22H29N4Na2O12PS2
Exact Mass 682.07564 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Xu1u2EmuGz
Name O(3)-ACETYL-PYRIDOXINE-ALPHA(4,5)-CYCLOMONOPHOSPHATE-6-AZOPHENYL-2',5'-DISULFONIC-ACID-MONOTRIETHYLAMINE-DISODIUM-SALT
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29N4Na2O12PS2
InChI InChI=1S/C16H16N3O12PS2.C6H15N.2Na/c1-8-15(31-9(2)20)11-6-29-32(21,22)30-7-12(11)16(17-8)19-18-13-5-10(33(23,24)25)3-4-14(13)34(26,27)28;1-4-7(5-2)6-3;;/h3-5H,6-7H2,1-2H3,(H,21,22)(H,23,24,25)(H,26,27,28);4-6H2,1-3H3;;/q;;2*+1/p-2/b19-18+;;;
InChIKey LZGLITGMZRTDHO-HRBIVCMLSA-L
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 UWSI43935