N-(2-Sulfoethyl)-L-Alanine

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Properties Simple | Detailed

Formula C5H11NO5S
IUPAC Name (2s)-2-(2-sulfoethylamino)propanoic acid
Molecular Mass 197.210 g·mol−1
Heat of Formation -942.5 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 213.0 Å 3
Surface Area 209.46 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2-sulfoethylamino)propanoic acid
  • (2s)-2-(2-sulfoethylamino)propionic acid
  • tauropine
CAS Number(s)
  • 33497-79-9
InChIKey VHYQDLYSULDZSO-BYPYZUCNSA-N
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