2-Amino-4-Oxo-7-(β-D-Ribofuranosyl)-4,7-Dihydro-1H-Pyrrolo[2,3-D]Pyrimidine-5-Carboximidamide

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Formula C12H16N6O5
IUPAC Name [[2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-1,6-dihydropyrrolo[2,3-d]pyrimidine-3,7-diium-6-ylium-5-yl]-azaniumylidene-methyl]azanide
Molecular Mass 324.293 g·mol−1
Heat of Formation -618.2 ± 16.7 kJ·mol−1
Dipole Moment 9.87 ± 1.08 D
Volume 346.77 Å 3
Surface Area 302.63 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrolo(2,3-d)pyrimidine-5-carboximidamide, 2-amino-4,7-dihydro-4-oxo-7-beta-d-ribofuranosyl-
  • 2-amino-4,7-dihydro-4-oxo-7-beta-d-ribofuranosyl-1h-pyrrolo(2,3-d)pyrimidine-5-carboximidamide
  • 2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-oxo-1h-pyrrolo[4,5-e]pyrimidine-5-carboxamidine
  • 2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1h-pyrrolo[4,5-e]pyrimidine-5-carboximidamide
  • 2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-1h-pyrrolo[4,5-e]pyrimidine-5-carboxamidine
  • 2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-keto-1h-pyrrolo[4,5-e]pyrimidine-5-carboxamidine
  • archaeosine
CAS Number(s)
  • 148608-52-0
InChIKey PEMQXWCOMFJRLS-RPKMEZRRSA-N
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