[(2S,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,4s)-2-(2,6-diaminopurin-9-ium-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
Molecular Mass 266.257 g·mol−1
Heat of Formation -243.4 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 296.29 Å 3
Surface Area 266.44 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-oxetanedimethanol, 4-(6-amino-9h-purin-9-yl)-, (2alpha,3beta,4alpha)-2-amino-9-(2-deoxy-2-hydroxymethyl-.beta.-d-erythro-oxetanosyl)adenosine
  • 2,3-oxetanedimethanol, 4-(6-amino-9h-purin-9-yl)-, (2alpha,3beta,4alpha)-2-amino-9-(2-deoxy-2-hydroxymethyl-beta-d-erythro-oxetanosyl)adenosine
  • 2-amino-9-(2-deoxy-2-hydroxymethyl-.beta.-d-erythro-oxetanosyl)adenosine
  • 2-amino-9-(2-deoxy-2-hydroxymethyl-beta-d-erythro-oxetanosyl)adenosine
  • [(2r,3r,4s)-2-(2,6-diamino-9-purinyl)-4-(hydroxymethyl)-3-oxetanyl]methanol
  • [(2r,3r,4s)-2-(2,6-diaminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
  • [(2r,3r,4s)-2-(2,6-diaminopurin-9-yl)-4-methylol-oxetan-3-yl]methanol
CAS Number(s)
  • 132077-74-8
InChIKey LHGZHHAMKUXUME-UDJQAZALSA-N
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