(1S,2S,3R,5R)-3-(6-Amino-9H-Purin-9-Yl)-5-(Hydroxymethyl)-1,2-Cyclopentanediol

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Formula C11H15N5O3
IUPAC Name (1s,2s,3r,5r)-3-(6-aminopurin-9-ium-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Molecular Mass 265.268 g·mol−1
Heat of Formation -336.0 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 294.53 Å 3
Surface Area 261.15 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3r,5r)-3-(6-amino-9-purinyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
  • (1s,2s,3r,5r)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
  • (1s,2s,3r,5r)-3-(6-aminopurin-9-yl)-5-methylol-cyclopentane-1,2-diol
  • 1,2-cyclopentanediol, 3-(6-amino-9h-purin-9-yl)-5-(hydroxymethyl)-, (1s,2s,3r,5r)
  • c-2',3'-oh-xylo-a
  • carbocyclic-2',3'-oh xylo-adenosine
CAS Number(s)
  • 91382-84-2
InChIKey UGRNVLGKAGREKS-YGBUUZGLSA-N
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