5'-O-[Hydroxy(Thiophosphonooxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C10H16N5O9P2S
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-dihydroxy-sulfido-phosphonium
Molecular Mass 444.275 g·mol−1
Heat of Formation -1977.5 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 436.18 Å 3
Surface Area 367.58 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (32s)adenosine 5'-o-(2-thiodiphosphate)
  • 5'-adenosine diphosphate beta-s
  • 5'-adenylic acid, monoanhydride with phosphorothioic acid
  • 5'-adps
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydroxyphosphinothioyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydroxythiophosphoryl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate
  • adenosine 5'-o-(2-thiodiphosphate)
  • adenosine 5-o-(3-thiodiphophate)
  • adenosine-5'-o-(2-thiodiphosphate)
  • adp beta s
  • adp-gamma-s
  • beta-thio-adp
CAS Number(s)
  • 35094-45-2
  • 52644-08-3
  • 73536-95-5
InChIKey HCIKUKNAJRJFOW-KQYNXXCUSA-N
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