N-(4-Butylphenyl)-2'-Deoxyguanosine

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Properties Simple | Detailed

Formula C20H32N5O4+
IUPAC Name 2-(4-butylanilino)-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 406.499 g·mol−1
Heat of Formation -379.9 ± 16.7 kJ·mol−1
Dipole Moment 8.66 ± 1.08 D
Volume 472.57 Å 3
Surface Area 423.94 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 1,9-dihydro-2-((4-butylphenyl)amino)-9-(2-deoxy-beta-d-erythro-pentofuranosyl)-6h-purin-6-one
  • 2-[(4-butylphenyl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 2-[(4-butylphenyl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purin-6-one
  • 2-[(4-butylphenyl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 2-[(4-butylphenyl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purin-6-one
  • 6h-purin-6-one, 1,9-dihydro-2-((4-butylphenyl)amino)-9-(2-deoxy-beta-d-erythro-pentofuranosyl)-
  • butylphenyldeoxyguanosine
  • n(2)-(4-n-butylphenyl) 2'-deoxyguanosine
CAS Number(s)
  • 87781-96-2
InChIKey HPXCEMUJBTUFGO-ARFHVFGLSA-N
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