S-(3,4-Dihydroxyphenyl)-L-Cysteine

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Properties Simple | Detailed

Formula C9H11NO4S
IUPAC Name (2r)-2-amino-3-(3,4-dihydroxyphenyl)sulfanyl-propanoic acid
Molecular Mass 229.253 g·mol−1
Heat of Formation -624.9 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 256.63 Å 3
Surface Area 243.37 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(3,4-dihydroxyphenyl)sulfanyl-propanoic acid
  • (2r)-2-amino-3-(3,4-dihydroxyphenyl)sulfanylpropanoic acid
  • (2r)-2-amino-3-[(3,4-dihydroxyphenyl)thio]propanoic acid
  • (2r)-2-amino-3-[(3,4-dihydroxyphenyl)thio]propionic acid
  • 4-s-cysteinylcatechol
CAS Number(s)
  • 77504-33-7
InChIKey AITAKZZIENHLPJ-LURJTMIESA-N
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