5'-O-[Hydroxy(Sulfooxy)Phosphoryl]Adenosine 3'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H15N5O13P2S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl sulfo hydrogen phosphate
Molecular Mass 507.264 g·mol−1
Heat of Formation -2679.6 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 475.12 Å 3
Surface Area 404.03 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-adenylic acid, 5'-(dihydrogen phosphate), 5'-anhydride with sulfuric acid
  • 3'-adenylic acid, 5'-(dihydrogen phosphate), 5'-anhydride with sulfuric acid (9ci)
  • 3'-o-phosphono-5'-adenylyl sulfate
  • 3'-phosphate-adenosine-5'-phosphate sulfate
  • 3'-phospho-5'-adenylyl sulfate
  • 3'-phosphoadenosine 5'-phosphosulfate
  • 3'-phosphoadenylyl sulfate
  • 3-phosphoadenosine 5'-phosphosulfate
  • 5'-adenylyl sulfate 3'-phosphate
  • 9h-purin-6-amine, 9-[5-o-[hydroxy(sulfooxy)phosphinyl]-3-o-phosphono-beta-d-ribofuranosyl]-
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-3-phosphonooxy-2-tetrahydrofuranyl]methyl sulfo hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl sulfo hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl sulfo hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate
  • adenosine 3',5'-diphosphate, 5'-anhydride with sulfuric acid
  • adenosine 3',5'-diphosphate, 5'-anhydride with sulfuric acid (6ci)
  • adenosine 3'-phosphate 5'-phosphosulfate
  • adenosine 3'-phosphate 5'-sulfatophosphate
  • adenosine 5'-phosphosulfate 3'-phosphate
  • adenosine, 3',5'-bis(dihydrogen phosphate), 5'-monoanhydride with sulfuric acid
  • adenosine, 3',5'-bis(dihydrogen phosphate), 5'-monoanhydride with sulfuric acid (8ci)
  • adenosine, 3',5'-diphosphate, 5'-anhydride with sulfuric acid
  • adenosine, 5'-o-[hydroxy(sulfooxy)phosphinyl]-, 3'-(dihydrogen phosphate)
  • paps (nucleotide)
  • pps
InChIKey GACDQMDRPRGCTN-KQYNXXCUSA-N
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