[[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-[[4-[2-Chloroethyl(Methyl)Amino]Phenyl]Methyl]Phosphonamidic Acid

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Properties Simple | Detailed

Formula C20H30ClN7O13P3
IUPAC Name [[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid
Molecular Mass 704.866 g·mol−1
Heat of Formation -3005.8 ± 16.7 kJ·mol−1
Dipole Moment 9.36 ± 1.08 D
Volume 711.69 Å 3
Surface Area 476.0 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
InChIKey ISCVYVWEWAHNKF-NVQRDWNXSA-P
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Elements C Cl H O N P