5'-S-(2-Aminoethyl)-N-(4-Nitrobenzyl)-5'-Thioadenosine

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Formula C19H23N7O5S
IUPAC Name (2s,3s,4r,5r)-2-(2-aminoethylsulfanylmethyl)-5-[6-[(4-nitrophenyl)methylamino]purine-1,3,7-triium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 461.495 g·mol−1
Heat of Formation -207.2 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 509.16 Å 3
Surface Area 395.61 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
InChIKey OAFPVFZXWPVEBS-HWLIBYHHSA-N
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