N-(8-Aminooctyl)Adenosine

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Properties Simple | Detailed

Formula C18H30N6O4
IUPAC Name (2r,3r,4s,5r)-2-[6-(8-aminooctylamino)purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 394.469 g·mol−1
Heat of Formation -594.7 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 477.31 Å 3
Surface Area 433.45 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-(8-aminooctylamino)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-(8-aminooctylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-(8-aminooctylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-(8-aminooctylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
CAS Number(s)
  • 111863-56-0
InChIKey AKXFYBGNMMFLTL-SCFUHWHPSA-N
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