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Conformational studies of 3‐amino‐3‐phosphonatopropionic acid. 1 H 31 P coupling constants
Author(s) -
Siatecki Zdzisław,
Kozłowski Henryk
Publication year - 1980
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270140521
Subject(s) - vicinal , conformational isomerism , aspartic acid , chemistry , coupling constant , amino acid , derivative (finance) , stereochemistry , coupling (piping) , crystallography , spectral line , medicinal chemistry , computational chemistry , molecule , organic chemistry , materials science , physics , biochemistry , particle physics , astronomy , financial economics , economics , metallurgy
The 1 H and 31 P NMR spectra of 3‐amino‐3‐phosphonatopropionic acid, a phosphonic derivative of aspartic acid, have been measured and completely analysed for 14 pH values. The vicinal coupling constants, 3 J (HH) and 3 J (HP), were used to obtain information on the rotational isomerism of the amino acid. The most stable conformer is the one where the phosphonic and β‐carboxyl groups are in trans position to each other.