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

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Formula C15H23N5O15P2
IUPAC Name [[(2r,3r,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 575.315 g·mol−1
Heat of Formation -3081.7 ± 16.7 kJ·mol−1
Dipole Moment 7.77 ± 1.08 D
Volume 573.43 Å 3
Surface Area 457.51 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
InChIKey MWJHMFLVAQJFTD-NQRHNBEYSA-P
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