5'-Deoxy-5'-{Methyl[3-({[4-(2-Methyl-2-Propanyl)Phenyl]Carbamoyl}Amino)Propyl]Amino}Adenosine

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Properties Simple | Detailed

Formula C25H36N8O4
IUPAC Name 1-[3-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-amino]propyl]-3-(4-tert-butylphenyl)urea
Molecular Mass 512.605 g·mol−1
Heat of Formation -533.2 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 616.59 Å 3
Surface Area 420.55 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
InChIKey DHTNDMXCZIAPMX-ZDXOVATRSA-N
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