Ethenodeoxyadenosine

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Properties Simple | Detailed

Formula C12H13N5O3
IUPAC Name (2r,3s,5r)-2-(hydroxymethyl)-5-(2,5,7,8-tetrahydroimidazo[2,1-f]purine-1,2,3a,4,5,7,8,9,9a,9b-decaid-3-yl)tetrahydrofuran-3-ol
Molecular Mass 275.263 g·mol−1
Heat of Formation -129.9 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 305.34 Å 3
Surface Area 276.61 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-2-(hydroxymethyl)-5-(3-imidazo[2,1-f]purinyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-2-(hydroxymethyl)-5-imidazo[2,1-f]purin-3-yl-oxolan-3-ol
  • (2r,3s,5r)-2-(hydroxymethyl)-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-3-ol
  • (2r,3s,5r)-2-(hydroxymethyl)-5-imidazo[2,1-f]purin-3-yloxolan-3-ol
  • (2r,3s,5r)-5-imidazo[2,1-f]purin-3-yl-2-methylol-tetrahydrofuran-3-ol
InChIKey XQQIMTUYVDUWKJ-DJLDLDEBSA-N
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