(2R,3S,5S,6R)-5-Amino-3-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)

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Formula C16H26N6O13P2
IUPAC Name [(2r,3s,5s,6r)-5-amino-3-hydroxy-6-methyl-tetrahydropyran-2-yl] [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 572.358 g·mol−1
Heat of Formation -2779.7 ± 16.7 kJ·mol−1
Dipole Moment 11.77 ± 1.08 D
Volume 581.94 Å 3
Surface Area 406.22 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
InChIKey DRNSMVBRYJDNAT-CYCRINRGSA-N
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