8-Oxo-7-Propylguanosine

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Properties Simple | Detailed

Formula C13H19N5O6
IUPAC Name 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-propyl-3h-purine-1,7,9-triium-6,8-dione
Molecular Mass 341.320 g·mol−1
Heat of Formation -936.5 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 372.32 Å 3
Surface Area 317.15 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-7-propyl-3h-purine-6,8-dione
  • 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-propyl-3h-purine-6,8-dione
  • 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-propyl-3h-purine-6,8-dione
  • 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-7-propyl-3h-purine-6,8-quinone
  • 7-propyl-8-oxoguanosine
CAS Number(s)
  • 126092-77-1
InChIKey PSAJQOYVXUWDJK-IOSLPCCCSA-N
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