N-[(2-Amino-4-Benzoyl-Anilino)-Hydroxy-Phosphoryl]-[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1,8-Dihydropurine-2,3,4,5,7,8-Hexaid-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Phosphonamidic Acid

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Formula C23H33N8O13P3
IUPAC Name n-[(2-amino-4-benzoyl-anilino)-hydroxy-phosphoryl]-[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,8-dihydropurine-2,3,4,5,7,8-hexaid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphonamidic acid
Molecular Mass 722.475 g·mol−1
Heat of Formation -2685.1 ± 16.7 kJ·mol−1
Dipole Moment 8.68 ± 1.08 D
Volume 728.58 Å 3
Surface Area 509.63 Å 2
HOMO Energy -7.79 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey MXYGEAAJPIMEHV-CIVUBGFFSA-N
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