2-Amino-7-Methyl-9-Pentofuranosyl-8-Thioxo-1,7,8,9-Tetrahydro-6H-Purin-6-One

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Formula C11H16N5O5S
IUPAC Name 2-amino-9-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-8-thioxo-1h-purin-3-ium-5-id-6-one
Molecular Mass 330.340 g·mol−1
Heat of Formation -679.7 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 344.65 Å 3
Surface Area 291.31 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
InChIKey RYCBQZRMWCNRMH-BZKDHIKHSA-N
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