[(2R,3R,4R)-4-(2,6-Diamino-9H-Purin-9-Yl)-2,3-Oxetanediyl]Dimethanol

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Properties Simple | Detailed

Formula C10H14N6O3
IUPAC Name [(2r,3r,4r)-2-(2,6-diaminopurin-9-ium-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
Molecular Mass 266.257 g·mol−1
Heat of Formation -242.5 ± 16.7 kJ·mol−1
Dipole Moment 1.26 ± 1.08 D
Volume 293.73 Å 3
Surface Area 266.6 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-oxetanedimethanol, 4-(2,6-diamino-9h-purin-9-yl)-, (2s-(2alpha,3beta,4alpha))-
  • 2-amino-oxt-a
  • 2-aminooxetanocin a
  • 4-(2,6-diamino-9h-purin-9-yl)-2,3-oxetanedimethanol (2s-(2alpha,3beta,4alpha))-
  • [(2r,3r,4r)-2-(2,6-diamino-9-purinyl)-4-(hydroxymethyl)-3-oxetanyl]methanol
  • [(2r,3r,4r)-2-(2,6-diaminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
  • [(2r,3r,4r)-2-(2,6-diaminopurin-9-yl)-4-methylol-oxetan-3-yl]methanol
CAS Number(s)
  • 113296-23-4
InChIKey LHGZHHAMKUXUME-IKMPGZOFSA-N
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