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

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Formula C11H15N5O3S
IUPAC Name (2r,3r,4r,5s)-2-(6-aminopurin-9-ium-9-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 297.334 g·mol−1
Heat of Formation -272.3 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 327.07 Å 3
Surface Area 290.64 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5s)-2-(6-amino-9-purinyl)-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4r,5s)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
  • (2r,3r,4r,5s)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4r,5s)-2-(6-aminopurin-9-yl)-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol
  • 9-[5'-deoxy-5'-(methylthio)-.beta.-d-xylofuranosyl]-adenine
InChIKey WUUGFSXJNOTRMR-GZCUOZMLSA-N
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