O-{[(2R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3-Hydroxy-2,5-Dihydro-2-Furanyl]Methyl} Dihydrogen Phosphorothioate

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Formula C10H14N5O6PS
IUPAC Name [(2r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methoxy-dihydroxy-sulfido-phosphonium
Molecular Mass 363.287 g·mol−1
Heat of Formation -950.5 ± 16.7 kJ·mol−1
Dipole Moment 14.57 ± 1.08 D
Volume 360.96 Å 3
Surface Area 317.75 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,5r)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-2,5-dihydrofuran-2-yl]-3h-purin-6-one
  • 2-amino-9-[(2r,5r)-5-(dihydroxythiophosphoryloxymethyl)-4-hydroxy-2,5-dihydrofuran-2-yl]-3h-purin-6-one
  • gcmpt
  • guanosine 3',5'-cyclic monophosphorothioate
  • guanosine, cyclic 3',5'-(hydrogen phosphorothioate)
  • guanosine-3',5'-cyclic phosphorothioate
CAS Number(s)
  • 67736-26-9
InChIKey KBIVNMNCTHXFAZ-PHDIDXHHSA-N
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