[[[[(2R,3S,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3-[2-(Methylamino)Benzoyl]Oxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Amino]Phosphonic Acid

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Properties Simple | Detailed

Formula C18H24N7O13P3
IUPAC Name [[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3-[2-(methylamino)benzoyl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid
Molecular Mass 639.343 g·mol−1
Heat of Formation -2848.9 ± 16.7 kJ·mol−1
Dipole Moment 11.92 ± 1.08 D
Volume 645.57 Å 3
Surface Area 542.65 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
InChIKey MKXMENHEHWKYDC-YNEHKIRRSA-P
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