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

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Formula C11H16N6O3
IUPAC Name (1s,2s,3r,5r)-3-(2,6-diaminopurin-9-ium-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Molecular Mass 280.283 g·mol−1
Heat of Formation -348.1 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 309.26 Å 3
Surface Area 273.34 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3r,5r)-3-(2,6-diamino-9-purinyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
  • (1s,2s,3r,5r)-3-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
  • (1s,2s,3r,5r)-3-(2,6-diaminopurin-9-yl)-5-methylol-cyclopentane-1,2-diol
  • 1,2-cyclopentanediol, 3-(2,6-diamino-9h-purin-9-yl)-5-(hydroxymethyl)-, rel-(1s,2s,3r,5r)-
CAS Number(s)
  • 108742-10-5
InChIKey ZLJQBJBJBIATTP-KYNKHSRBSA-N
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