S-(−)-Willardiine

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Properties Simple | Detailed

Formula C7H9N3O4
IUPAC Name (2s)-2-azaniumyl-3-(2,4-dioxopyrimidin-1-yl)propanoate
Molecular Mass 199.164 g·mol−1
Heat of Formation -638.2 ± 16.7 kJ·mol−1
Dipole Moment 9.08 ± 1.08 D
Volume 215.63 Å 3
Surface Area 203.69 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(2,4-diketopyrimidin-1-yl)propionic acid
  • (2s)-2-amino-3-(2,4-dioxo-1-pyrimidinyl)propanoic acid
  • (2s)-2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
  • 2-amino-3-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
  • 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine
  • 3-(uracil-1-yl)-l-alanine
  • hwd
  • s(−)-alpha-amino--3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinepropanoic acid
  • s(−)-willardiine
  • willardiine
CAS Number(s)
  • 21416-43-3
InChIKey FACUYWPMDKTVFU-BYPYZUCNSA-N
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