[[(2S)-4-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-2-(Hydroxymethyl)Butoxy]-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Formula C10H20N5O12P3+
IUPAC Name [[(2s)-4-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-(hydroxymethyl)butoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 495.213 g·mol−1
Heat of Formation -2959.6 ± 16.7 kJ·mol−1
Dipole Moment 11.73 ± 1.08 D
Volume 473.85 Å 3
Surface Area 363.33 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -2.01 ± eV
Point Group Symmetry C1
InChIKey VOUZPNFVHUYXPP-LURJTMIESA-P
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