8-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Ribofuranosyl]-1H-Tetrazolo[5,1-B]Purin-5(8H)-One

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Properties Simple | Detailed

Formula C10H14N7O14P3
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-oxo-1h-tetrazolo[5,1-b]purin-8-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Molecular Mass 549.178 g·mol−1
Heat of Formation -2774.1 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 506.81 Å 3
Surface Area 409.51 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-tetrazolo(5,1-b)purin-5(8h)-one, 8-(5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-ribofuranosyl)-
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-keto-1h-tetrazolo[5,1-b]purin-8-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-oxo-1h-[1,2,3,4]tetrazolo[5,1-b]purin-8-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-oxo-1h-tetrazolo[5,1-b]purin-8-yl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-oxo-1h-tetrazolo[5,1-b]purin-8-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • tetrazolo-oxo-purine nucleoside triphosphate
  • topntp
CAS Number(s)
  • 77044-71-4
InChIKey RHRPWIGJGVLBSI-UUOKFMHZSA-N
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