(1R)-1-[((1E)-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4-Yl}Methylene)Amino]-1-Phenylethylphosphonic Acid

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Formula C16H20N2O8P2
IUPAC Name [(1r)-1-[(e)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methyleneamino]-1-phenyl-ethyl]phosphonic acid
Molecular Mass 430.286 g·mol−1
Heat of Formation -1777.6 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 462.44 Å 3
Surface Area 369.3 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey YMGMBGLRDKSMMV-TWIVVOHQSA-N
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