(2R)-2-[(1R)-2-Oxo-1-(6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Ethoxy]Propanal

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Properties Simple | Detailed

Formula C10H17N4O4+
IUPAC Name (2r)-2-[(1r)-2-oxo-1-(6-oxo-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaid-9-yl)ethoxy]propanal
Molecular Mass 257.266 g·mol−1
Heat of Formation -295.0 ± 16.7 kJ·mol−1
Dipole Moment 12.00 ± 1.08 D
Volume 276.75 Å 3
Surface Area 246.12 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(1r)-2-keto-1-(6-keto-3h-purin-9-yl)ethoxy]propionaldehyde
  • (2r)-2-[(1r)-2-oxo-1-(6-oxo-3h-purin-9-yl)ethoxy]propanal
  • (r-(r*,r*))-1,6-dihydro-alpha-(1-methyl-2-oxoethoxy)-6-oxo-9h-purine-9-acetaldehyde
  • 5'-deoxyinosine dialdehyde
  • 5'-deoxyinox
  • 9h-purine-9-acetaldehyde, 1,6-dihydro-alpha-(1-methyl-2-oxoethoxy)-6-oxo-, (r-(r*,r*))-
CAS Number(s)
  • 71671-62-0
InChIKey XSJQRGNLPCWYFJ-RNFRBKRXSA-N
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