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(6-AMINO-1-HYDROXYHEXYLIDENE)-BIS-PHOSPHONIC-ACID

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(6-AMINO-1-HYDROXYHEXYLIDENE)-BIS-PHOSPHONIC-ACID
SpectraBase Compound ID FdlqVN3VugH
InChI InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)
InChIKey PUUSSSIBPPTKTP-UHFFFAOYSA-N
Mol Weight 277.15 g/mol
Molecular Formula C6H17NO7P2
Exact Mass 277.048026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPgfE97Gdtf
Name 1-HYDROXY-6-AMINOHEXYLIDENE-1,1-BISPHOSPHONIC-ACID;NERIDRONATE
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H13NO7P2
InChI InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)
InChIKey PUUSSSIBPPTKTP-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
Molecular Weight 273.119 g/mol
Sample ID 53002
Solvent NAOD:D2O