2'-Deoxy-8-[(3-Methyl-3H-Imidazo[4,5-F]Quinolin-2-Yl)Amino]Guanosine

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Properties Simple | Detailed

Formula C21H21N9O4
IUPAC Name 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[(3-methylimidazo[4,5-f]quinolin-2-yl)amino]-3h-purin-6-one
Molecular Mass 463.449 g·mol−1
Heat of Formation -66.3 ± 16.7 kJ·mol−1
Dipole Moment 14.42 ± 1.08 D
Volume 504.17 Å 3
Surface Area 422.43 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-8-[(3-methyl-2-pyrido[3,2-e]benzimidazolyl)amino]-3h-purin-6-one
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(3-methylpyrido[3,2-e]benzimidazol-2-yl)amino]-3h-purin-6-one
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[(3-methylpyrido[3,2-e]benzimidazol-2-yl)amino]-3h-purin-6-one
  • 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-8-[(3-methylpyrido[3,2-e]benzimidazol-2-yl)amino]-3h-purin-6-one
  • n-(deoxyguanosin-8-yl)-2-amino-3-methylimidazolo(4,5-f)quinoline
CAS Number(s)
  • 115747-35-8
InChIKey BUWFHGJSHMKENO-BFHYXJOUSA-N
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