[(2R,3S,4R,5R)-5-(6-Amino-2-Fluoro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl [(2R,3S,4S)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate

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Formula C15H22FN5O13P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 561.307 g·mol−1
Heat of Formation -2909.2 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 545.85 Å 3
Surface Area 415.69 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
InChIKey INVLSELIWGCOEO-ZVIMGNLFSA-N
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