(2E)-2-[(Z)-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-1-Ium-5-Id-4-Ylidene]Methyl]Iminopropanoic Acid

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Properties Simple | Detailed

Formula C11H20N2O7P+
IUPAC Name (2e)-2-[(z)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)piperidine-2,3,5,6-tetraid-4-ylidene]methyl]iminopropanoic acid
Molecular Mass 323.259 g·mol−1
Heat of Formation -1444.9 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 336.06 Å 3
Surface Area 297.7 Å 2
HOMO Energy -7.72 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
InChIKey UUMBTTNGSGBDDL-ZAQQZXBOSA-O
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