S-[2-(2-Amino-6-Oxo-3,6-Dihydro-7H-Purin-7-Yl)Ethyl]-L-Cysteine

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Properties Simple | Detailed

Formula C10H14N6O3S
IUPAC Name (2r)-2-amino-3-[2-(2-amino-6-oxo-3h-purine-1,9-diium-5-id-7-yl)ethylsulfanyl]propanoic acid
Molecular Mass 298.322 g·mol−1
Heat of Formation -264.0 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 330.09 Å 3
Surface Area 306.84 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-[2-(2-amino-6-keto-3h-purin-7-yl)ethylthio]propionic acid
  • (2r)-2-amino-3-[2-(2-amino-6-oxo-3h-purin-7-yl)ethylsulfanyl]propanoic acid
  • (2r)-2-amino-3-[2-(2-amino-6-oxo-3h-purin-7-yl)ethylthio]propanoic acid
  • 1-(guan-1-yl)-2-(cystein-s-yl)ethane
  • guacyset
  • l-cysteine, s-(2-(2-amino-1,6-dihydro-6-oxo-7h-purin-7-yl)ethyl)-
CAS Number(s)
  • 106947-24-4
InChIKey SXOJTGXFMQPGOS-YFKPBYRVSA-N
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