5'-{[4-(Aminooxy)Butyl](Methyl)Amino}-5'-Deoxy-8-Vinyladenosine

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Properties Simple | Detailed

Formula C17H27N7O4
IUPAC Name (2r,3s,4r,5r)-2-[[4-aminooxybutyl(methyl)amino]methyl]-5-(6-amino-8-vinyl-purine-1,3,7-triium-9-yl)tetrahydrofuran-3,4-diol
Molecular Mass 393.441 g·mol−1
Heat of Formation -343.5 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 467.69 Å 3
Surface Area 360.15 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
InChIKey XUKYGMIDWKBMIW-IWCJZZDYSA-N
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