9-(6-Deoxy-β-D-Allofuranosyl)-9H-Purine-6-Thiol

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Formula C11H21N4O4S+
IUPAC Name 9-[(2s,3s,4s,5r)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]tetrahydrofuran-2-yl]-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaide-6-thione
Molecular Mass 305.374 g·mol−1
Heat of Formation -399.4 ± 16.7 kJ·mol−1
Dipole Moment 10.03 ± 1.08 D
Volume 325.83 Å 3
Surface Area 287.72 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey LMTPULIBTJWSQT-PVRNJEFGSA-N
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