5'-O-2-Hexyn-1-Yladenosine

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Properties Simple | Detailed

Formula C16H21N5O4
IUPAC Name (2r,3r,4s,5r)-2-(6-aminopurin-9-ium-9-yl)-5-(hex-2-ynoxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 347.369 g·mol−1
Heat of Formation -234.9 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 405.9 Å 3
Surface Area 360.61 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(6-amino-9-purinyl)-5-(hex-2-ynoxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(hex-2-ynoxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(hex-2-ynoxymethyl)tetrahydrofuran-3,4-diol
  • 2-h-ado
  • 2-hexynyladenosine
CAS Number(s)
  • 90596-73-9
InChIKey WIFJRCTUSUFDOJ-XNIJJKJLSA-N
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