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1-HYDROXY-3-[(3-PHENYSULFANYLPROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID 6jSZvpWotJZ
InChI InChI=1S/C12H21NO7P2S/c14-12(21(15,16)17,22(18,19)20)7-9-13-8-4-10-23-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2,(H2,15,16,17)(H2,18,19,20)
InChIKey YXGOWAGLIOCSAL-UHFFFAOYSA-N
Mol Weight 385.31 g/mol
Molecular Formula C12H21NO7P2S
Exact Mass 385.051397 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfwBTWUPLlI
Name 1-HYDROXY-3-[(3-PHENYSULFANYLPROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 5Q
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17NO7P2S
InChI InChI=1S/C12H21NO7P2S/c14-12(21(15,16)17,22(18,19)20)7-9-13-8-4-10-23-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2,(H2,15,16,17)(H2,18,19,20)
InChIKey YXGOWAGLIOCSAL-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 UWLU53050