4-(Methylsulfanyl)-7-(D-Ribofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidine

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Formula C12H15N3O4S
IUPAC Name (2s,3r,4r,5r)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-ium-7-yl)tetrahydrofuran-3,4-diol
Molecular Mass 297.330 g·mol−1
Heat of Formation -502.4 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 324.37 Å 3
Surface Area 290.04 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey ULAFTYMEZPGDOI-APOZVJGGSA-N
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