1-(2-Deoxy-α-L-Threo-Pentofuranosyl)-5-(Trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C10H11F3N2O5++
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(trifluoromethyl)pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 296.200 g·mol−1
Heat of Formation -1539.0 ± 16.7 kJ·mol−1
Dipole Moment 7.72 ± 1.08 D
Volume 294.83 Å 3
Surface Area 258.3 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey VSQQQLOSPVPRAZ-RRKCRQDMSA-P
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Elements H C N O F