4-(Methylthio)-1-.β.-D-Ribofuranosylpyrazolo[3,4-D]Pyrimidine

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Formula C11H14N4O4S
IUPAC Name (2r,3s,4s,5s)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-ium-2-id-1-yl)tetrahydrofuran-3,4-diol
Molecular Mass 298.318 g·mol−1
Heat of Formation -420.1 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 320.61 Å 3
Surface Area 291.92 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
InChIKey MNNOKJSDVULTAU-LEQIOUOKSA-N
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