6-(Methylsulfanyl)-9-(5-O-Phosphono-β-D-Ribofuranosyl)-9H-Purine

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Formula C11H15N4O7PS
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylsulfanylpurin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 378.298 g·mol−1
Heat of Formation -1308.7 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 385.29 Å 3
Surface Area 324.05 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylsulfanylpurin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(methylthio)-9-purinyl]-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(methylthio)purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey BMYFUCYXRGTQQL-IOSLPCCCSA-N
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