(4-{7-[2-(4-Chlorophenoxy)Ethyl]-2-(Methylamino)-6-Oxo-6,7-Dihydro-1H-Purin-8-Yl}Phenyl)Phosphonic Acid

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Properties Simple | Detailed

Formula C20H19ClN5O5P
IUPAC Name [4-[7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-3h-purin-8-yl]phenyl]phosphonic acid
Molecular Mass 475.822 g·mol−1
Heat of Formation -734.0 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 500.06 Å 3
Surface Area 390.09 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey MCYZBWKMUOPJOU-UHFFFAOYSA-N
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Elements C Cl H O N P