N-[(2-Amino-4-Benzoyl-Anilino)-Hydroxy-Phosphoryl]-[[(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-Phosphonamidic Acid

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Formula C23H27N8O13P3
IUPAC Name n-[(2-amino-4-benzoyl-anilino)-hydroxy-phosphoryl]-[[(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-phosphonamidic acid
Molecular Mass 716.428 g·mol−1
Heat of Formation -2685.2 ± 16.7 kJ·mol−1
Dipole Moment 8.65 ± 1.08 D
Volume 727.46 Å 3
Surface Area 510.08 Å 2
HOMO Energy -7.79 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey ODEZXKJAPOINQM-CIVUBGFFSA-P
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