N-Cyclohexyl-2'-O-Methyladenosine

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Properties Simple | Detailed

Formula C17H25N5O4
IUPAC Name (2r,3r,4r,5r)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol
Molecular Mass 363.412 g·mol−1
Heat of Formation -524.6 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 421.07 Å 3
Surface Area 363.41 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-5-[6-(cyclohexylamino)-9-purinyl]-2-(hydroxymethyl)-4-methoxy-3-tetrahydrofuranol
  • (2r,3r,4r,5r)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxy-oxolan-3-ol
  • (2r,3r,4r,5r)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol
  • (2r,3r,4r,5r)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
  • (2r,3r,4r,5r)-5-[6-(cyclohexylamino)purin-9-yl]-4-methoxy-2-methylol-tetrahydrofuran-3-ol
  • adenosine, n-cyclohexyl-2'-o-methyl-
  • n(6)-cyclohexyl-2-o-methyladenosine
  • sdz wag-994
  • sdz-wag-994
CAS Number(s)
  • 130714-47-5
InChIKey JAKAFSGZUXCHLF-LSCFUAHRSA-N
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