9-[(1R,2S,3R,4R)-2,3-Dihydroxy-4-(Hydroxymethyl)Cyclopentyl]-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C11H14N4O4
IUPAC Name 9-[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 266.253 g·mol−1
Heat of Formation -470.7 ± 16.7 kJ·mol−1
Dipole Moment 12.98 ± 1.08 D
Volume 291.22 Å 3
Surface Area 263.57 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 9-(2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)-1,9-dihydro-, (1s-(1alpha,2beta,3beta,4alpha))-
  • 9-[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3h-purin-6-one
  • 9-[(1r,2s,3r,4r)-2,3-dihydroxy-4-methylol-cyclopentyl]-3h-purin-6-one
  • carbocyclic inosine
  • coaristeromycin
InChIKey WJJOLBUDGLOYDT-GCXDCGAKSA-N
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