1-[3-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Isopropyl-Amino]Propyl]-3-(P-Tolyl)Urea

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Formula C24H34N8O4
IUPAC Name 1-[3-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-isopropyl-amino]propyl]-3-(p-tolyl)urea
Molecular Mass 498.578 g·mol−1
Heat of Formation -464.0 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 600.03 Å 3
Surface Area 504.17 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
InChIKey DEJOKNXDSHZDOY-ZDXOVATRSA-O
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