(2R,3S)-3-Amino-2-Hydroxy-2-(1H-Imidazol-5-Ylmethyl)-5-Methylhexanoic Acid

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Properties Simple | Detailed

Formula C11H19N3O3
IUPAC Name (2r,3s)-3-amino-2-hydroxy-2-(imidazol-3-ium-4-ylium-4-ylmethyl)-5-methyl-hexanoic acid
Molecular Mass 241.287 g·mol−1
Heat of Formation -560.0 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 300.43 Å 3
Surface Area 260.39 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-3-amino-2-hydroxy-2-(3h-imidazol-4-ylmethyl)-5-methyl-hexanoic acid
  • (2r,3s)-3-amino-2-hydroxy-2-(3h-imidazol-4-ylmethyl)-5-methylhexanoic acid
  • 1h-imidazole-4-propanoic acid, alpha-(1-amino-3-methylbutyl)-alpha-hydroxy-, (r-(r*,s*))-
  • leuhistin
  • leuhistine
CAS Number(s)
  • 129085-76-3
InChIKey WZFDNGAENBEYMA-GXSJLCMTSA-N
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