2-(2-Phenylethoxy)Adenosine

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Properties Simple | Detailed

Formula C18H21N5O5
IUPAC Name (2r,3r,4s,5r)-2-[6-amino-2-(2-phenylethoxy)purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 387.390 g·mol−1
Heat of Formation -545.1 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 441.04 Å 3
Surface Area 371.44 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-amino-2-(2-phenylethoxy)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(2-phenylethoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(2-phenylethoxy)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(2-phenylethoxy)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • adenosine, 2-(2-phenylethoxy)-
  • sha 40
  • sha-40
CAS Number(s)
  • 131865-79-7
InChIKey LNJMSJMYTVMMGS-LSCFUAHRSA-N
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