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

Molecule SVG Image

Properties Simple | Detailed

Formula C20H25N5O4
IUPAC Name 2-(4-butylanilino)-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
Molecular Mass 399.444 g·mol−1
Heat of Formation -403.8 ± 16.7 kJ·mol−1
Dipole Moment 10.30 ± 1.08 D
Volume 470.12 Å 3
Surface Area 416.53 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.64 ± 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
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N