(E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methylene)Methionine

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Formula C13H20N2O7PS
IUPAC Name (2s)-2-[(e)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-1-ium-5-id-4-yl]methyleneamino]-4-methylsulfanyl-butanoic acid
Molecular Mass 379.346 g·mol−1
Heat of Formation -1436.9 ± 16.7 kJ·mol−1
Dipole Moment 8.15 ± 1.08 D
Volume 470.56 Å 3
Surface Area 340.13 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey HPCOPQVFKQIVQF-DMSFABOWSA-N
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