5'-S-Isobutyl-5'-Thioinosine

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Formula C14H20N4O4S
IUPAC Name 9-[(2r,3r,4s,5s)-3,4-dihydroxy-5-(2-methylpropylsulfanylmethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
Molecular Mass 340.398 g·mol−1
Heat of Formation 1387.7 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 333.26 Å 3
Surface Area 288.5 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -3.39 ± eV
Point Group Symmetry C1
InChIKey CMFIWMWBTZQTQH-HJUHTLPRSA-N
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