2-Methyl-9-(5-O-Phosphono-β-D-Ribofuranosyl)-3,9-Dihydro-6H-Purine-6-Thione

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Formula C11H15N4O7PS
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-methyl-6-thioxo-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 378.298 g·mol−1
Heat of Formation -1252.7 ± 16.7 kJ·mol−1
Dipole Moment 11.88 ± 1.08 D
Volume 387.01 Å 3
Surface Area 337.53 Å 2
HOMO Energy -7.88 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(methylthio)-9-beta-d-ribofuranosyl-9h-purine 5'-(dihydrogen phosphate)
  • 6-methylthiopurine ribonucleoside
  • 6-methylthiopurine ribonucleoside-5'-phosphate
  • 9h-purine, 6-(methylthio)-9-(5-o-phosphono-beta-d-ribofuranosyl)- (9ci)
  • 9h-purine, 6-(methylthio)-9-beta-d-ribofuranosyl-, 5'-(dihydrogen phosphate)
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-methyl-6-sulfanylidene-3h-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-methyl-6-thioxo-3h-purin-9-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-methyl-6-thioxo-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 7021-52-5
InChIKey JZBDJXVVRLSRDO-IOSLPCCCSA-N
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