(2R,3R)-2-Ethyl-4-Hydroxy-3-[(1-Methyl-1H-Imidazol-5-Yl)Methyl]Butanoic Acid

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Properties Simple | Detailed

Formula C11H18N2O3
IUPAC Name (2r,3r)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-3-ium-4-ylium-4-yl)butanoic acid
Molecular Mass 226.272 g·mol−1
Heat of Formation -551.7 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 287.67 Å 3
Surface Area 251.78 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-2-ethyl-3-(hydroxymethyl)-4-(3-methyl-4-imidazolyl)butanoic acid
  • (2r,3r)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid
  • (2r,3r)-2-ethyl-4-hydroxy-3-[(3-methylimidazol-4-yl)methyl]butyric acid
CAS Number(s)
  • 34350-99-7
InChIKey WJRPDGADPABWOY-WCBMZHEXSA-N
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