5'-S-Isobutyl-5'-Thioinosine

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Formula C14H27N4O4S+
IUPAC Name 9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(isobutylsulfanylmethyl)tetrahydrofuran-2-yl]-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 347.454 g·mol−1
Heat of Formation -501.4 ± 16.7 kJ·mol−1
Dipole Moment 10.48 ± 1.08 D
Volume 392.16 Å 3
Surface Area 319.77 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
InChIKey CMFIWMWBTZQTQH-HJUHTLPRSA-N
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