2-Chloro-4-[[2-[[(1R)-1-(Hydroxymethyl)-2-Methyl-Propyl]Amino]-9-Isopropyl-Purine-1,3,7-Triium-6-Yl]Amino]Benzoic Acid

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Formula C20H25ClN6O3
IUPAC Name 2-chloro-4-[[2-[[(1r)-1-(hydroxymethyl)-2-methyl-propyl]amino]-9-isopropyl-purine-1,3,7-triium-6-yl]amino]benzoic acid
Molecular Mass 432.904 g·mol−1
Heat of Formation -360.4 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 503.15 Å 3
Surface Area 435.43 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
InChIKey GLMOWFMPIHUOLE-HNNXBMFYSA-O
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Elements H C Cl O N