(S)-(-)-5-Fluorowillardiine

Molecule SVG Image

Properties Simple | Detailed

Formula C7H8FN3O4
IUPAC Name (2s)-2-amino-3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoic acid
Molecular Mass 217.155 g·mol−1
Heat of Formation -836.5 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 228.56 Å 3
Surface Area 211.98 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(5-fluoro-2,4-diketo-pyrimidin-1-yl)propionic acid
  • (2s)-2-amino-3-(5-fluoro-2,4-dioxo-1-pyrimidinyl)propanoic acid
  • (2s)-2-amino-3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoic acid
  • (2s)-2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
  • (s)-alpha-amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2h)-pyrimmidinepropanoic acid
  • 1(2h)-pyrimmidinepropanoic acid, alpha-amino-5-fluoro-3,4-dihydro-2,4-dioxo-, (s)-
  • 2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
  • 5-fluorowillardiine
  • fluoro-willardiine
  • fwd
  • pdsp1_001836
  • pdsp2_001819
  • tocris-0306
CAS Number(s)
  • 140187-23-1
InChIKey DBWPFHJYSTVBCZ-BYPYZUCNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F