(2S)-2-Amino-3-[2,4-Dihydroxy-5-(4H-Imidazol-1-Ium-4-Ylium-1-Yl)Phenyl]Propanoic Acid
Properties
Property | Value |
---|---|
Formula | C12H13N3O4 |
IUPAC Name | (2s)-2-amino-3-(2,4-dihydroxy-5-imidazol-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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Elements | H C O N |