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

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Properties Simple | Detailed

Formula C10H16N5O12P3S
IUPAC Name [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-sulfanyl-phosphinic acid
Molecular Mass 523.247 g·mol−1
Heat of Formation -2796.6 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 489.06 Å 3
Surface Area 373.87 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (dihydroxyphosphinothioyloxy-hydroxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (dihydroxyphosphinothioyloxy-hydroxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (dihydroxyphosphinothioyloxy-hydroxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (dihydroxythiophosphoryloxy-hydroxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (dihydroxyphosphinothioyloxy-hydroxyphosphoryl) hydrogen phosphate
  • adenosine 5'-(.gamma.-s)triphosphate
  • adenosine 5'-(3-thiotriphosphate)
  • adenosine 5'-(gamma-thio)triphosphate
  • adenosine 5'-(gamma-thiotriphosphate)
  • adenosine 5'-(trihydrogen diphosphate), p'-anhydride with phosphorothioic acid (9ci)
  • adenosine 5'-[gamma-s]triphosphate
  • adenosine 5'-[gamma-thio]triphosphate
  • adenosine 5-o-(3-thiotriphophate)
  • adenosine, 5'-o-[[[[(dihydroxyphosphinothioyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-
  • adenosine, 5'-p''-ester with thiotriphosphoric acid ((ho)2p(o)op(o)(oh)op(35s)(oh)2)
  • adenosine-5'-diphosphate monothiophosphate
  • ags
  • alpha-thio-atp
  • alpha-thioadenosine triphosphate
  • atg
  • atp-gammas
  • atp.gamma.s
  • gamma thio atp
  • phosphothiophosphoric acid-adenylate ester
  • sap
CAS Number(s)
  • 35094-46-3
  • 117750-47-7
InChIKey NLTUCYMLOPLUHL-KQYNXXCUSA-N
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