Ovothiol A

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Properties Simple | Detailed

Formula C7H11N3O2S
IUPAC Name (2s)-2-amino-3-(3-methyl-5-sulfanyl-imidazol-3-ium-4-ylium-4-yl)propanoic acid
Molecular Mass 201.246 g·mol−1
Heat of Formation -266.1 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 234.76 Å 3
Surface Area 213.75 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(3-methyl-5-sulfanyl-imidazol-4-yl)propanoic acid
  • (2s)-2-amino-3-(3-methyl-5-sulfanylimidazol-4-yl)propanoic acid
  • (2s)-2-amino-3-(5-mercapto-3-methyl-4-imidazolyl)propanoic acid
  • (2s)-2-amino-3-(5-mercapto-3-methyl-imidazol-4-yl)propionic acid
  • 1-n-methyl-4-mercaptohistidine
  • l-histidine, 5-mercapto-3-methyl-
  • u23
CAS Number(s)
  • 108418-13-9
InChIKey XWKKYVJREGXHFO-BYPYZUCNSA-N
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