[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3R,4S,5R,6R)-3-Fluoro-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate

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Formula C15H23FN2O16P2
IUPAC Name [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 568.293 g·mol−1
Heat of Formation -3682.4 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 550.65 Å 3
Surface Area 409.3 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
InChIKey NGTCPFGWXMBZEP-UXTZZOSASA-N
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