(2E)-3-(3-Fluoro-4-Hydroxyphenyl)-2-{[(Z)-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4(1H)-Pyridinylidene}Methyl]Imino}Propanoic Acid

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Properties Simple | Detailed

Formula C17H18FN2O8P
IUPAC Name (2e)-3-(3-fluoro-4-hydroxy-phenyl)-2-[(z)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-1h-pyridin-4-ylidene]methyl]imino-propanoic acid
Molecular Mass 428.306 g·mol−1
Heat of Formation 612.1 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 379.32 Å 3
Surface Area 324.51 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey AWZHPOMIAYWMIB-ALAGMBGBSA-N
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