(2E)-2-[(E)-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methylene)Amino]-2-Butenoic Acid

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Formula C12H15N2O7P
IUPAC Name (2e)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]-2-butenoic acid
Molecular Mass 330.231 g·mol−1
Heat of Formation -1383.9 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 351.8 Å 3
Surface Area 327.24 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
InChIKey BBYSOXSBJOWRNU-VMTXVVAMSA-N
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