2-{[2-(1-Cyclohexen-1-Yl)Ethyl]Amino}Adenosine

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Formula C18H26N6O4
IUPAC Name (2r,3r,4s,5r)-2-[6-amino-2-[2-(cyclohexen-1-yl)ethylamino]purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 390.437 g·mol−1
Heat of Formation -500.5 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 465.72 Å 3
Surface Area 382.12 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-amino-2-[2-(1-cyclohexenyl)ethylamino]-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-[2-(1-cyclohexenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-[2-(1-cyclohexenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-[2-(1-cyclohexenyl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • 2-((2-(1-cyclohexen-1-yl)ethyl)amino)adenosine
  • adenosine, 2-((2-(1-cyclohexen-1-yl)ethyl)amino)-
  • cgs 22989
  • cgs-22989
CAS Number(s)
  • 124498-87-9
InChIKey SLUGAKUMOFIJEH-LSCFUAHRSA-N
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