3-(5-O-Phosphono-α-D-Ribofuranosyl)-3,7-Dihydro-6H-Purine-6-Thione

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Properties Simple | Detailed

Formula C10H14N4O7PS
IUPAC Name [(2r,3s,4r,5s)-3,4-dihydroxy-5-(6-thioxo-7h-purine-1,9-diium-5-id-3-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 365.280 g·mol−1
Heat of Formation -1247.0 ± 16.7 kJ·mol−1
Dipole Moment 9.26 ± 1.08 D
Volume 359.1 Å 3
Surface Area 310.84 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-dihydro-1-(5-o-phosphono-beta-d-ribofuranosyl)-4h-pyrazolo(3,2-d)pyrimidine-4-thione
  • 4h-pyrazolo(3,2-d)pyrimidine-4-thione, 1,5-dihydro-1-(5-o-phosphono-beta-d-ribofuranosyl)-
  • [(2r,3s,4r,5s)-3,4-dihydroxy-5-(6-sulfanylidene-7h-purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-3,4-dihydroxy-5-(6-thioxo-7h-purin-3-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-3,4-dihydroxy-5-(6-thioxo-7h-purin-3-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • thiopurinol ribonucleoside monophosphate
  • tppr-mp
CAS Number(s)
  • 81944-82-3
InChIKey SNTOQDWYLLHKHP-CRKDRTNXSA-N
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