[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-[9-[(2R,3R)-3-Hydroxy-2,3-Dihydrofuran-2-Yl]-6-Oxo-Purine-3,7-Diium-1-Yl]Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Methyl Hydrogen Phosphate Hydrate

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Formula C15H24N4O14P2
IUPAC Name [[(2r,3s,4r,5r)-3,4-dihydroxy-5-[9-[(2r,3r)-3-hydroxy-2,3-dihydrofuran-2-yl]-6-oxo-purine-3,7-diium-1-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] methyl hydrogen phosphate hydrate
Molecular Mass 546.317 g·mol−1
Heat of Formation -2485.3 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 528.27 Å 3
Surface Area 405.51 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
InChIKey NTVDBALVGONFCO-ATYUDWGKSA-P
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