(2E,3E)-4-(2-Aminoethoxy)-2-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)Imino]-3-Butenoic Acid

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Formula C14H20N3O8P
IUPAC Name (e,2e)-4-(2-aminoethoxy)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylimino]but-3-enoic acid
Molecular Mass 389.298 g·mol−1
Heat of Formation -1548.7 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 426.28 Å 3
Surface Area 358.03 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey OBCQKAZQAHYUOZ-CALQLVRRSA-N
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