2-(1-Octyn-1-Yl)Adenosine

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Properties Simple | Detailed

Formula C18H25N5O4
IUPAC Name (2r,3r,4s,5r)-2-(6-amino-2-oct-1-ynyl-purin-9-ium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 375.422 g·mol−1
Heat of Formation -348.1 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 451.52 Å 3
Surface Area 390.31 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(6-amino-2-oct-1-ynyl-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-2-oct-1-ynyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-2-oct-1-ynyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-2-oct-1-ynyl-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-2-oct-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • 2-(1-octynyl)adenosine
  • 2-o-ado
  • 2-octynyladenosine
  • adenosine, 2-(1-octynyl)-
  • yt 146
  • yt-146
CAS Number(s)
  • 90596-75-1
InChIKey NVGGIHKSKVAPEY-XKLVTHTNSA-N
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