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

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Properties Simple | Detailed

Formula C7H8N4O6
IUPAC Name 2-amino-3-(5-nitro-2,4-dioxo-pyrimidin-1-yl)propanoic acid
Molecular Mass 244.162 g·mol−1
Heat of Formation -66.6 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 237.5 Å 3
Surface Area 231.02 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -3.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(2,4-diketo-5-nitro-pyrimidin-1-yl)propionic acid
  • (2s)-2-amino-3-(5-nitro-2,4-dioxo-1-pyrimidinyl)propanoic acid
  • (2s)-2-amino-3-(5-nitro-2,4-dioxo-pyrimidin-1-yl)propanoic acid
  • (2s)-2-amino-3-(5-nitro-2,4-dioxopyrimidin-1-yl)propanoic acid
InChIKey IEBVITXSHAFLJR-VKHMYHEASA-N
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