9-(β-D-Erythro-Pentofuranosyl-3-Ulose)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H11N5O4
IUPAC Name (2r,4s,5r)-5-(6-amino-8h-purin-9-ium-8-ylium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-one
Molecular Mass 265.225 g·mol−1
Heat of Formation -369.3 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 284.05 Å 3
Surface Area 259.85 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranone
  • (2r,4s,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-one
  • (2r,4s,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-one
  • 3'-oxo-adenosine
  • ady
InChIKey MIAZJCOESMXYNJ-XMRAEQSQSA-N
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