2-Amino-9-(5-O-Phosphono-β-D-Ribofuranosyl)-1,9-Dihydro-6H-Purine-6-Thione

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Properties Simple | Detailed

Formula C10H14N5O7PS
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-thioxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 379.286 g·mol−1
Heat of Formation -1212.5 ± 16.7 kJ·mol−1
Dipole Moment 11.54 ± 1.08 D
Volume 381.63 Å 3
Surface Area 334.74 Å 2
HOMO Energy -7.85 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-guanylic acid, 6-thio-
  • 6-tg nucleotide
  • 6-thioguanine nucleotide
  • 6-thioguanosine monophosphate
  • 6-thioguanosine-5'-phosphate
  • 6-thioguanylic acid
  • [(2r,3s,4r,5r)-5-(2-amino-6-sulfanylidene-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-sulfanylidene-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-thioxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-thioxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey BPZXYEUJBFHASJ-UUOKFMHZSA-N
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