[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3R,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-4-Fluoro-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Formula C19H23FN7O11P++
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 575.398 g·mol−1
Heat of Formation -2159.2 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 582.05 Å 3
Surface Area 408.65 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey ORHPEFQOHSRVPY-YRHMQFFASA-Q
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