[[[[(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]Oxy-Hydroxy-Phosphoryl]Amino]Phosphonic Acid

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Properties Simple | Detailed

Formula C10H17N6O13P3
IUPAC Name [[[[(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]oxy-hydroxy-phosphoryl]amino]phosphonic acid
Molecular Mass 522.196 g·mol−1
Heat of Formation -2970.8 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 498.91 Å 3
Surface Area 407.44 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
InChIKey IVVOWRSQKYYJAU-UUOKFMHZSA-P
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