(2E)-2-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)Imino]-3-[(2-Hydroxyphenyl)Amino]Propanoic Acid

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Formula C17H20N3O8P
IUPAC Name (2e)-3-(2-hydroxyanilino)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylimino]propanoic acid
Molecular Mass 425.330 g·mol−1
Heat of Formation -1483.1 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 466.58 Å 3
Surface Area 395.97 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey MKNJFLJOSVXALN-XMHGGMMESA-N
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