5'-Deoxy-5'-[Isopropyl(3-{[(4-Methylphenyl)Carbamoyl]Amino}Propyl)Amino]Adenosine

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Properties Simple | Detailed

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 -492.5 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 602.04 Å 3
Surface Area 455.68 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey KQTSVJQPAVOUSL-ZDXOVATRSA-N
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