S-[(1R)-7-(Hydroxymethyl)-2,3-Dihydro-1H-Pyrrolizin-1-Yl]-L-Cysteine

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Properties Simple | Detailed

Formula C11H16N2O3S
IUPAC Name (2r)-2-amino-3-[[(1r)-7-(hydroxymethyl)-2,3-dihydro-1h-pyrrolizin-4-ium-8-ylium-1-yl]sulfanyl]propanoic acid
Molecular Mass 256.321 g·mol−1
Heat of Formation -423.1 ± 16.7 kJ·mol−1
Dipole Moment 7.34 ± 1.08 D
Volume 302.23 Å 3
Surface Area 273.83 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-[[(1r)-7-(hydroxymethyl)-2,3-dihydro-1h-pyrrolizin-1-yl]sulfanyl]propanoic acid
  • (2r)-2-amino-3-[[(1r)-7-(hydroxymethyl)-2,3-dihydro-1h-pyrrolizin-1-yl]thio]propanoic acid
  • (2r)-2-amino-3-[[(1r)-7-methylol-2,3-dihydro-1h-pyrrolizin-1-yl]thio]propionic acid
  • 7-cys-drtnc
  • 7-cysteinyldehydroretronecine
  • l-cysteine, s-(2,3-dihydro-7-(hydroxymethyl)-1h-pyrrolizin-1-yl)-, (r)-
CAS Number(s)
  • 64660-85-1
InChIKey SQSGSRJUBPDLGK-DTWKUNHWSA-N
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