[[(2R,3S,4R,5R)-5-(6-Amino-8-Oxo-7H-Purine-1,3-Diium-5-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C10H17N5O14P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-8-oxo-7h-purine-1,3-diium-5-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 524.188 g·mol−1
Heat of Formation -3318.7 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 475.8 Å 3
Surface Area 349.65 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
InChIKey GEVUXVVUXDIJRQ-YYCGWFFZSA-O
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