(2S)-2-Amino-3-[2,4-Dihydroxy-5-(4H-Imidazol-1-Ium-4-Ylium-1-Yl)Phenyl]Propanoic Acid

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Formula C12H13N3O4
IUPAC Name (2s)-2-amino-3-[2,4-dihydroxy-5-(4h-imidazol-1-ium-4-ylium-1-yl)phenyl]propanoic acid
Molecular Mass 263.249 g·mol−1
Heat of Formation -508.3 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 301.18 Å 3
Surface Area 274.47 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
InChIKey DUYCPVVOPMGSFC-QMMMGPOBSA-N
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