1-Deoxy-1-[2,4,7-Trioxo-6-(Trifluoromethyl)-1,3,4,7-Tetrahydro-8(2H)-Pteridinyl]-D-Ribitol

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Formula C12H13F3N4O7
IUPAC Name 8-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-6-(trifluoromethyl)-1h-pteridine-2,4,7-trione
Molecular Mass 382.249 g·mol−1
Heat of Formation -1794.3 ± 16.7 kJ·mol−1
Dipole Moment 8.18 ± 1.08 D
Volume 373.04 Å 3
Surface Area 329.46 Å 2
HOMO Energy -10.31 ± 0.55 eV
LUMO Energy -1.93 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(trifluoromethyl)-7-oxo-8-ribityllumazine
  • 6-f3me-7-orl
  • 6-trifluoromethyl-7-oxo-8-(d-ribityl)lumazine
CAS Number(s)
  • 143309-76-6
InChIKey FYUJHEOHMJKNGM-RPDRRWSUSA-N
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