3-(5-Iodo-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-L-Alanine

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Properties Simple | Detailed

Formula C7H8IN3O4++
IUPAC Name (2s)-2-amino-3-(5-iodo-2,4-dioxo-pyrimidin-1-yl)propanoic acid
Molecular Mass 325.061 g·mol−1
Heat of Formation -576.3 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 259.16 Å 3
Surface Area 239.42 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(5-iodo-2,4-diketo-pyrimidin-1-yl)propionic acid
  • (2s)-2-amino-3-(5-iodo-2,4-dioxo-1-pyrimidinyl)propanoic acid
  • (2s)-2-amino-3-(5-iodo-2,4-dioxo-pyrimidin-1-yl)propanoic acid
  • (2s)-2-amino-3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoic acid
  • 2-amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
  • 5 iodowillardine
  • iodo-willardiine
  • iwd
  • tocris-0307
InChIKey AXXYLTBQIQBTES-BYPYZUCNSA-N
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