3'-O-Sulfoinosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H13N4O11PS
IUPAC Name [(2r,3s,4r,5r)-4-hydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-sulfooxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 428.269 g·mol−1
Heat of Formation -1943.7 ± 16.7 kJ·mol−1
Dipole Moment 12.68 ± 1.08 D
Volume 399.31 Å 3
Surface Area 356.02 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-inosinic acid, monoanhydride with sulfuric acid
  • [(2r,3s,4r,5r)-4-hydroxy-5-(6-keto-3h-purin-9-yl)-3-sulfoxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-4-hydroxy-5-(6-oxo-3h-purin-9-yl)-3-sulfooxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-4-hydroxy-5-(6-oxo-3h-purin-9-yl)-3-sulfooxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-4-hydroxy-5-(6-oxo-3h-purin-9-yl)-3-sulfooxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • inosine 5'-phosphosulfate
CAS Number(s)
  • 29168-29-4
  • 6929-31-3
InChIKey ZZYRPLIWDICTKO-KQYNXXCUSA-N
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