[(2S,3Ar,4R,6R,6Ar)-4-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-2-Hydroxy-2-Oxo-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-6-Yl]Methyl Phosphono Hydrogen Phosphate

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Formula C10H14N5O13P3
IUPAC Name [(2s,3ar,4r,6r,6ar)-4-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl phosphono hydrogen phosphate
Molecular Mass 505.165 g·mol−1
Heat of Formation -2957.4 ± 16.7 kJ·mol−1
Dipole Moment 8.46 ± 1.08 D
Volume 465.21 Å 3
Surface Area 403.63 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey FUNFMPQEDBOHPD-UUOKFMHZSA-P
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