1-{2-Deoxy-5-O-(2,2-Dimethylpropanoyl)-3-O-[(1-Methyl-1,4-Dihydro-3-Pyridinyl)Carbonyl]-D-Erythro-Pentofuranosyl}-5-(Trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C22H26F3N3O7++
IUPAC Name [(2s,3r,5r)-2-(2,2-dimethylpropanoyloxymethyl)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]tetrahydrofuran-3-yl] 1-methyl-4h-pyridine-3-carboxylate
Molecular Mass 501.453 g·mol−1
Heat of Formation -1884.6 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 557.79 Å 3
Surface Area 425.49 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey PUUXKDCZTQOAGJ-OWCLPIDISA-N
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