1-(2-Deoxy-α-L-Threo-Pentofuranosyl)-5-(Trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C N O F |