[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,5S,6R)-3,3,4,4-Tetrafluoro-5-Hydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphos Phate (Non-Preferred Name)

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Formula C15H20F4N2O15P2
IUPAC Name [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,5s,6r)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 606.265 g·mol−1
Heat of Formation -4132.2 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 571.87 Å 3
Surface Area 436.43 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
InChIKey MUYRTPUNBLMMOR-UMEAPJPCSA-N
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