O-{[(2R,5R)-5-(2-Amino-8-Bromo-9H-Purin-9-Yl)-3,4-Dihydroxy-2,5-Dihydro-2-Furanyl]Methyl} Dihydrogen Phosphorothioate

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Properties Simple | Detailed

Formula C10H11BrN5O6PS
IUPAC Name (2r,5r)-2-(2-amino-8-bromo-purin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)-2,5-dihydrofuran-3,4-diol
Molecular Mass 440.167 g·mol−1
Heat of Formation -922.5 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 396.55 Å 3
Surface Area 322.63 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,5r)-2-(2-amino-8-bromo-9-purinyl)-5-(dihydroxyphosphinothioyloxymethyl)-2,5-dihydrofuran-3,4-diol
  • (2r,5r)-2-(2-amino-8-bromo-purin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)-2,5-dihydrofuran-3,4-diol
  • (2r,5r)-2-(2-amino-8-bromo-purin-9-yl)-5-(dihydroxythiophosphoryloxymethyl)-2,5-dihydrofuran-3,4-diol
  • (2r,5r)-2-(2-amino-8-bromopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)-2,5-dihydrofuran-3,4-diol
  • (r)-8-bromoguanosine cyclic 3',5'-(hydrogen phosphorothioate)
  • 8-br-cgmps
  • 8-bromoguanosino-3',5'-cyclic monophosphorothioate
  • guanosine, 8-bromo-, cyclic 3',5'-(hydrogen phosphorothioate), (r)-
  • rp-8-br-cgmps
CAS Number(s)
  • 150418-07-8
InChIKey NKBRWLDMUXONRI-SPGJFGJESA-N
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