2'-Deoxy-5'-O-[(Dithiophosphono)]Guanosine

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Properties Simple | Detailed

Formula C10H14N5O5PS2
IUPAC Name (r)-[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-sulfanyl-sulfido-phosphonium
Molecular Mass 379.352 g·mol−1
Heat of Formation -811.5 ± 16.7 kJ·mol−1
Dipole Moment 12.80 ± 1.08 D
Volume 391.66 Å 3
Surface Area 335.09 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-mercapto-thiophosphoryl)oxymethyl]tetrahydrofuran-2-yl]-3h-purin-6-one
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-mercaptophosphinothioyl)oxymethyl]-2-tetrahydrofuranyl]-3h-purin-6-one
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]oxolan-2-yl]-3h-purin-6-one
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]tetrahydrofuran-2-yl]-3h-purin-6-one
InChIKey UTBRJOFAELGXIG-KVQBGUIXSA-N
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