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

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Formula C10H16N2O8P2
IUPAC Name [(1s)-1-[(e)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methyleneamino]ethyl]phosphonic acid
Molecular Mass 354.190 g·mol−1
Heat of Formation -1862.2 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 370.24 Å 3
Surface Area 336.52 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey WCUQNAKNQCJAKL-MNOXCQKJSA-N
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