3-(2,6-Dioxo-3,6-Dihydro-1(2H)-Pyrimidinyl)-L-Alanine

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Properties Simple | Detailed

Formula C7H9N3O4
IUPAC Name (2s)-2-amino-3-(2,4-dioxo-1h-pyrimidin-3-yl)propanoic acid
Molecular Mass 199.164 g·mol−1
Heat of Formation -672.5 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 216.14 Å 3
Surface Area 199.86 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(2,6-diketo-3h-pyrimidin-1-yl)propionic acid
  • (2s)-2-amino-3-(2,6-dioxo-3h-pyrimidin-1-yl)propanoic acid
  • beta-(2,4-dihydroxypyrimidin-3-yl)alanine
  • isowillardiine
CAS Number(s)
  • 21381-33-9
InChIKey AZSWUZQIIMMKOZ-BYPYZUCNSA-N
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