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

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Properties Simple | Detailed

Formula C27H40N8O4
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-(4-tert-butylphenyl)urea
Molecular Mass 540.658 g·mol−1
Heat of Formation -558.0 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 669.29 Å 3
Surface Area 493.88 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
InChIKey MTLMDZJUGDUTCP-PTGPVQHPSA-N
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