1-O-[Hydroxy(Thiophosphonooxy)Phosphoryl]-5-O-Phosphono-α-D-Ribofuranose

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Formula C5H13O13P3S
IUPAC Name dihydroxyphosphinothioyl [(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl] hydrogen phosphate
Molecular Mass 406.135 g·mol−1
Heat of Formation -3342.6 ± 16.7 kJ·mol−1
Dipole Moment 6.97 ± 1.08 D
Volume 365.49 Å 3
Surface Area 301.92 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 5-phosphoribosyl 1-o-(2-thiodiphosphate)
  • [(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl] dihydroxythiophosphoryl hydrogen phosphate
  • dihydroxyphosphinothioyl [(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-tetrahydrofuranyl] hydrogen phosphate
  • dihydroxyphosphinothioyl [(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl] hydrogen phosphate
  • p-rib-ppbetas
CAS Number(s)
  • 91385-22-7
InChIKey DUHPXDWZQTVKIV-TXICZTDVSA-N
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