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

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Properties Simple | Detailed

Formula C11H13N2O7P
IUPAC Name (e)-4-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]-2-imino-but-3-enoic acid
Molecular Mass 316.204 g·mol−1
Heat of Formation -1337.8 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 336.52 Å 3
Surface Area 291.08 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
InChIKey RFCLOBQLGFQJHL-LDEIZCIFSA-N
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