9-[3-O-(2-Aminobenzoyl)-2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)Pentofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C17H21N6O13P3
IUPAC Name [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[[dihydroxyphosphoryloxy(hydroxy)phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-aminobenzoate
Molecular Mass 610.302 g·mol−1
Heat of Formation -2960.4 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 601.9 Å 3
Surface Area 479.78 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey FIWKNPONGIOEHC-AVGNSLFASA-N
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