2-(Butylsulfanyl)Adenosine

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Formula C14H21N5O4S
IUPAC Name (2r,3r,4r,5s)-2-(6-amino-2-butylsulfanyl-purin-9-ium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 355.413 g·mol−1
Heat of Formation -570.7 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 405.16 Å 3
Surface Area 339.74 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey JUZWTKSKLZRPBL-UFAOYGAJSA-N
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