2-Amino-9-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Erythro-Pentofuranosyl]-3,9-Dihydro-6H-Purine-6-Thione

Molecule SVG Image

Properties Simple | Detailed

Formula C10H16N5O12P3S
IUPAC Name [[(2r,3s,5r)-5-(2-amino-6-thioxo-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 523.247 g·mol−1
Heat of Formation -2856.3 ± 16.7 kJ·mol−1
Dipole Moment 12.78 ± 1.08 D
Volume 489.66 Å 3
Surface Area 367.95 Å 2
HOMO Energy -7.83 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-6-thioguanosine 5'-(tetrahydrogen triphosphate)
  • 2'-deoxy-6-thioguanosine 5'-triphosphate
  • 2'-deoxy-6-thioguanosine, 5'-triphosphate
  • [(2r,3s,5r)-5-(2-amino-6-sulfanylidene-3h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-sulfanylidene-3h-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-thioxo-3h-purin-9-yl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-thioxo-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • beta-2'-deoxy-6-thioguanylate
  • dg(s)tp
  • dthiogtp
CAS Number(s)
  • 17660-38-7
InChIKey BXZRFHUVVWIHMV-KVQBGUIXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S