S-[5-(2-Aminoethyl)-2,3-Dihydroxyphenyl]-L-Cysteine

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Properties Simple | Detailed

Formula C11H16N2O4S
IUPAC Name (2r)-2-amino-3-[5-(2-aminoethyl)-2,3-dihydroxy-phenyl]sulfanyl-propanoic acid
Molecular Mass 272.321 g·mol−1
Heat of Formation -662.9 ± 16.7 kJ·mol−1
Dipole Moment 1.25 ± 1.08 D
Volume 317.72 Å 3
Surface Area 289.35 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-[5-(2-aminoethyl)-2,3-dihydroxy-phenyl]sulfanyl-propanoic acid
  • (2r)-2-amino-3-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]sulfanylpropanoic acid
  • (2r)-2-amino-3-[[5-(2-aminoethyl)-2,3-dihydroxy-phenyl]thio]propionic acid
  • (2r)-2-amino-3-[[5-(2-aminoethyl)-2,3-dihydroxyphenyl]thio]propanoic acid
  • 5-s-cysteinyldopamine
  • s-(5-(2-aminoethyl)-2,3-dihydroxyphenyl)-l-cysteine
CAS Number(s)
  • 99558-89-1
InChIKey BZYHBWCVRKSWDB-ZETCQYMHSA-N
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