2-[4-[3-[(4-Amino-3-Iodo-Phenyl)Methyl]-2,6-Dioxo-1-Propyl-7H-Purin-9-Ium-5-Id-8-Yl]Phenoxy]Acetic Acid

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Properties Simple | Detailed

Formula C23H23IN5O5
IUPAC Name 2-[4-[3-[(4-amino-3-iodo-phenyl)methyl]-2,6-dioxo-1-propyl-7h-purin-9-ium-5-id-8-yl]phenoxy]acetic acid
Molecular Mass 576.364 g·mol−1
Heat of Formation -494.9 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 558.91 Å 3
Surface Area 468.96 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
InChIKey ROFMSBAUXKTJBH-UHFFFAOYSA-P
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