2',3',5'-Tri-O-Acetyladenosine

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Properties Simple | Detailed

Formula C16H19N5O7
IUPAC Name [(2r,3r,4r,5r)-3,4-diacetoxy-5-(6-aminopurin-9-ium-9-yl)tetrahydrofuran-2-yl]methyl acetate
Molecular Mass 393.351 g·mol−1
Heat of Formation -1034.0 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 434.19 Å 3
Surface Area 369.5 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2′,3′,5′-tri-o-acetyladenosine
  • [(2r,3r,4r,5r)-4-acetoxy-5-(acetoxymethyl)-2-(6-aminopurin-9-yl)tetrahydrofuran-3-yl] acetate
  • [(2r,3r,4r,5r)-4-acetyloxy-5-(acetyloxymethyl)-2-(6-aminopurin-9-yl)oxolan-3-yl] acetate
  • [(2r,3r,4r,5r)-4-acetyloxy-5-(acetyloxymethyl)-2-(6-aminopurin-9-yl)oxolan-3-yl] ethanoate
  • acetic acid [(2r,3r,4r,5r)-4-acetoxy-5-(acetoxymethyl)-2-(6-amino-9-purinyl)-3-tetrahydrofuranyl] ester
  • acetic acid [(2r,3r,4r,5r)-4-acetoxy-5-(acetoxymethyl)-2-(6-aminopurin-9-yl)tetrahydrofuran-3-yl] ester
  • adenosine, 2',3',5'-triacetate
InChIKey GCVZNVTXNUTBFB-XNIJJKJLSA-N
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