5'-O-Thiophosphonoadenosine

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Properties Simple | Detailed

Formula C10H14N5O6PS
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-dihydroxy-sulfido-phosphonium
Molecular Mass 363.287 g·mol−1
Heat of Formation -1129.9 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 362.77 Å 3
Surface Area 289.07 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(6-amino-9-purinyl)-5-(dihydroxyphosphinothioyloxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(dihydroxythiophosphoryloxymethyl)tetrahydrofuran-3,4-diol
  • 5'-(dihydrogen phosphorothioate)adenosine
  • adenosine 5'-o-thiomonophosphate
  • adenosine 5'-phosphorothioate
  • adenosine 5'-thiophosphate
  • amp-s
  • thiophosphoryl adenylic acid
CAS Number(s)
  • 19341-57-2
InChIKey UBCPYVAQZGCDJO-KQYNXXCUSA-N
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