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

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Properties Simple | Detailed

Formula C11H12NO8P
IUPAC Name (e)-4-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]-2-oxo-but-3-enoic acid
Molecular Mass 317.189 g·mol−1
Heat of Formation -1536.6 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 332.94 Å 3
Surface Area 312.99 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
InChIKey FYMYHYJKCICXRI-NSCUHMNNSA-N
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