N-(3-Aminobenzo[Pqr]Tetraphen-6-Yl)-2'-Deoxyguanosine

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Properties Simple | Detailed

Formula C30H24N6O4
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[2-[(3-λ1-azanyl-2,7,8,9,10,12-hexahydro-1h-benzo[a]pyrene-1,2,7,8,9,10,12-heptaid-6-yl)amino]-6-oxo-3h-purine-1,7-diium-4-id-9-yl]tetrahydrofuran-2-yl]methanolate
Molecular Mass 532.549 g·mol−1
Heat of Formation -37.4 ± 16.7 kJ·mol−1
Dipole Moment 12.06 ± 1.08 D
Volume 584.57 Å 3
Surface Area 491.48 Å 2
HOMO Energy -7.72 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3-amino-6-benzo[b]pyrenyl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 2-[(3-aminobenzo[b]pyren-6-yl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purin-6-one
  • 2-[(3-aminobenzo[b]pyren-6-yl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 2-[(3-aminobenzo[b]pyren-6-yl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purin-6-one
  • 6-(deoxyguanosin-n(2)-yl)-3-aminobenzo(a)pyrene
  • 6-dg-nb(a)p
  • guanosine, n-(3-aminobenzo(a)pyren-6-yl)-2'-deoxy-
  • n-(3-aminobenzo(a)pyren-6-yl)-2'-deoxyguanosine
CAS Number(s)
  • 220629-90-3
  • 149635-27-8
InChIKey SEXALPSLOUSOAV-YTFSRNRJSA-N
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