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

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Formula C16H25FN5O15P2
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2s,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 608.340 g·mol−1
Heat of Formation -3260.5 ± 16.7 kJ·mol−1
Dipole Moment 9.62 ± 1.08 D
Volume 591.59 Å 3
Surface Area 420.26 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
InChIKey PJGFOXPZIWTXFX-XBJZVIKLSA-P
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