8-(Butylamino)Adenosine

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Properties Simple | Detailed

Formula C14H22N6O4
IUPAC Name (2r,3r,4s,5r)-2-[6-amino-8-(butylamino)purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 338.362 g·mol−1
Heat of Formation -524.2 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 389.94 Å 3
Surface Area 347.11 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(6-amino-8-butylamino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-8-butylamino-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-8-butylamino-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-8-butylamino-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-8-butylaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChIKey OQQOFNMNLZCUPG-QYVSTXNMSA-N
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