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

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Formula C18H28N6O15P2
IUPAC Name [(2r,3s,4s,5s,6r)-5-acetamido-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl] [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 630.394 g·mol−1
Heat of Formation -3197.5 ± 16.7 kJ·mol−1
Dipole Moment 8.10 ± 1.08 D
Volume 644.72 Å 3
Surface Area 484.57 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
InChIKey LGAYHNOFNVLWCK-XEDXKBCUSA-P
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