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1-HYDROXY-3-ACETYLAMINOPROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID Lt3pS072SqJ
InChI InChI=1S/C5H13NO8P2/c1-4(7)6-3-2-5(8,15(9,10)11)16(12,13)14/h8H,2-3H2,1H3,(H,6,7)(H2,9,10,11)(H2,12,13,14)
InChIKey IGBNZEFRWYEZBV-UHFFFAOYSA-N
Mol Weight 277.11 g/mol
Molecular Formula C5H13NO8P2
Exact Mass 277.01164 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hiAowJTzSU
Name 1-HYDROXY-3-ACETYLAMINOPROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 1F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H9NO8P2
InChI InChI=1S/C5H13NO8P2/c1-4(7)6-3-2-5(8,15(9,10)11)16(12,13)14/h8H,2-3H2,1H3,(H,6,7)(H2,9,10,11)(H2,12,13,14)
InChIKey IGBNZEFRWYEZBV-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 UWLU53088