3-(2-Hydroxyethyl)-L-Histidine

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Properties Simple | Detailed

Formula C8H13N3O3
IUPAC Name (2s)-2-amino-3-[3-(2-hydroxyethyl)imidazol-3-ium-4-ylium-4-yl]propanoic acid
Molecular Mass 199.207 g·mol−1
Heat of Formation -441.7 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 243.12 Å 3
Surface Area 222.52 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[3-(2-hydroxyethyl)-4-imidazolyl]propanoic acid
  • (2s)-2-amino-3-[3-(2-hydroxyethyl)imidazol-4-yl]propanoic acid
  • (2s)-2-amino-3-[3-(2-hydroxyethyl)imidazol-4-yl]propionic acid
  • 3-(2-hydroxyethyl)histidine
  • l-histidine, 3-(2-hydroxyethyl)-
CAS Number(s)
  • 70962-69-5
InChIKey GTRAYRSSCLGTSF-ZETCQYMHSA-N
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