(2R,3R,4R,5R)-2-{2-Amino-7-[Oxido(4-Quinolinyl)-Lambda~5~-Azanyl]-6-Oxo-6,7-Dihydro-3H-Purin-9-Ium-9-Yl}-4-Hydroxy-5-(Hydroxymethyl)Tetrahydro-3-Furanolate

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Properties Simple | Detailed

Formula C19H23N7O6+
IUPAC Name n-[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-8h-purine-1,3-diium-5,8-diid-7-yl]-7h-quinolin-1-ium-4a,7-diid-4-amine oxide
Molecular Mass 445.429 g·mol−1
Heat of Formation -226.5 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 471.12 Å 3
Surface Area 392.15 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[2-amino-6-keto-7-(oxido-(4-quinolyl)ammonio)-3h-purin-9-ium-9-yl]-4-hydroxy-5-methylol-tetrahydrofuran-3-olate
  • (2r,3r,4s,5r)-2-[2-amino-7-(oxido-(4-quinolyl)ammonio)-6-oxo-3h-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranolate
  • (2r,3r,4s,5r)-2-[2-amino-7-(oxido-(4-quinolyl)ammonio)-6-oxo-3h-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-olate
  • (2r,3r,4s,5r)-2-[2-amino-7-(oxido-quinolin-4-yl-azaniumyl)-6-oxo-3h-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-olate
  • (2r,3r,4s,5r)-2-[2-amino-7-(oxido-quinolin-4-ylazaniumyl)-6-oxo-3h-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-olate
  • 1h-purinium, 2-amino-6,9-dihydro-6-oxo-7-(4-quinolinylamino)-9-beta-d-ribofuranosyl-, hydroxide, inner salt, n7-oxide
  • gaqo
  • n(4)-(guanosin-7-yl)-4-aminoquinoline 1-oxide
CAS Number(s)
  • 137339-24-3
InChIKey UCSQMPIKMWDRKW-SCFUHWHPSA-N
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