8-(4'-Amino-4-Biphenylyl)-9-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C22H22N6O3
IUPAC Name (2r,3s,5s)-5-[6-amino-8-[4-(4-aminophenyl)phenyl]purine-1,3,7-triium-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 418.448 g·mol−1
Heat of Formation -68.8 ± 16.7 kJ·mol−1
Dipole Moment 8.36 ± 1.08 D
Volume 478.81 Å 3
Surface Area 420.79 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5s)-5-[6-amino-8-[4-(4-aminophenyl)phenyl]-9-purinyl]-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3s,5s)-5-[6-amino-8-[4-(4-aminophenyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
  • (2r,3s,5s)-5-[6-amino-8-[4-(4-aminophenyl)phenyl]purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3s,5s)-5-[6-amino-8-[4-(4-aminophenyl)phenyl]purin-9-yl]-2-methylol-tetrahydrofuran-3-ol
  • adenosine, 8-(4'-amino(1,1'-biphenyl)-4-yl)-2'-deoxy-
  • daabp
  • n-(deoxyadenosin-8-yl)-4-aminobiphenyl
CAS Number(s)
  • 86408-35-7
InChIKey SUCGNISWBYMYDO-KSZLIROESA-N
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