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1-HYDROXY-3-[(2-PHENYSULFANYLETHYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID qFkZTNru8f
InChI InChI=1S/C11H19NO7P2S/c13-11(20(14,15)16,21(17,18)19)6-7-12-8-9-22-10-4-2-1-3-5-10/h1-5,12-13H,6-9H2,(H2,14,15,16)(H2,17,18,19)
InChIKey MZHCHDGYACBPAP-UHFFFAOYSA-N
Mol Weight 371.28 g/mol
Molecular Formula C11H19NO7P2S
Exact Mass 371.035747 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JnNNkiPtSe
Name 1-HYDROXY-3-[(2-PHENYSULFANYLETHYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 5O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H15NO7P2S
InChI InChI=1S/C11H19NO7P2S/c13-11(20(14,15)16,21(17,18)19)6-7-12-8-9-22-10-4-2-1-3-5-10/h1-5,12-13H,6-9H2,(H2,14,15,16)(H2,17,18,19)
InChIKey MZHCHDGYACBPAP-UHFFFAOYSA-N
Literature Reference Author L.WIDLER,K.A.JAEGGI,M.GLATT,K.MUELLER,R.BACHMANN,M.BISPING,A .R.BORN,R.CORTESI,G.
Literature Reference Citation J.MED.CHEM.,45,3721(2002)
Literature Reference DOI 10.1021/jm020819i
Solvent NAOD:D2O=1:20
Source File Reference UWLU53048