[(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-Fluoro-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C19H24FN7O12P++
IUPAC Name [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 592.406 g·mol−1
Heat of Formation -2295.8 ± 16.7 kJ·mol−1
Dipole Moment 11.17 ± 1.08 D
Volume 600.28 Å 3
Surface Area 422.06 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey VNDBOBPMCPHBME-FOJQSULLSA-R
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Elements C F H O N P