9-(5-Ethyl-β-D-Ribofuranosyluronosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C12H15N5O5
IUPAC Name ethyl (2s,3s,4r,5r)-5-(6-aminopurin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxylate
Molecular Mass 309.278 g·mol−1
Heat of Formation -637.0 ± 16.7 kJ·mol−1
Dipole Moment 1.63 ± 1.08 D
Volume 331.22 Å 3
Surface Area 300.11 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofurancarboxylic acid ethyl ester
  • (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxylic acid ethyl ester
  • 1-(6-amino-9h-purin-9-yl)-1-deoxy-beta-d-ribofuranuronic acid ethyl ester
  • abbott 40557
  • beta-d-ribofuranuronic acid, 1-(6-amino-9h-purin-9-yl)-1-deoxy-, ethyl ester
  • ethyl (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolane-2-carboxylate
  • ethyl (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxylate
  • ethyl (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate
  • ethyl adenosine-5'-carboxylate
InChIKey IHTXJAFDKUQWOX-MCHASIABSA-N
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