[4-Amino-2-(Trifluoromethyl)-5-Pyrimidinyl]Methyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C6H8F3N3O7P2
IUPAC Name [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate
Molecular Mass 353.086 g·mol−1
Heat of Formation -2376.6 ± 16.7 kJ·mol−1
Dipole Moment 7.68 ± 1.08 D
Volume 317.29 Å 3
Surface Area 293.33 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-2-trifluoromethyl-5-hydroxymethylpyrimidine pyrophosphate
  • [4-amino-2-(trifluoromethyl)-5-pyrimidinyl]methyl phosphono hydrogen phosphate
  • fqp
InChIKey UKNJCTHTCAKKNG-UHFFFAOYSA-N
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