9-(5-S-Methyl-5-Thio-β-D-Xylofuranosyl)-9H-Purin-6-Amine

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Formula C11H15N5O3S
IUPAC Name (2r,3s,4s,5s)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 297.333 g·mol−1
Heat of Formation -291.7 ± 16.7 kJ·mol−1
Dipole Moment 1.37 ± 1.08 D
Volume 327.81 Å 3
Surface Area 283.33 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey WUUGFSXJNOTRMR-ICQCTTRCSA-O
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