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

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Properties Simple | Detailed

Formula C10H17N4O5+
IUPAC Name (2s)-3-hydroxy-2-[(1s)-2-oxo-1-(6-oxo-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaid-9-yl)ethoxy]propanal
Molecular Mass 273.266 g·mol−1
Heat of Formation -401.8 ± 16.7 kJ·mol−1
Dipole Moment 12.82 ± 1.08 D
Volume 291.71 Å 3
Surface Area 256.64 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-hydroxy-2-[(1s)-2-keto-1-(6-keto-3h-purin-9-yl)ethoxy]propionaldehyde
  • (r,r)-alpha-(1-formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-9h-purine-9-acetaldehyde
  • 9h-purine-9-acetaldehyde, alpha-(1-formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-, (r,(r*,r*))-
  • 9h-purine-9-acetaldehyde, alpha-(1-formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-, (r,r)-
  • alpha-(hydroxymethyl)-alpha'-(6-hydroxy-9h-purin-9-yl) diglycolaldehyde
  • diglycoaldehyde
  • inosine dialdehyde
  • inox
CAS Number(s)
  • 23590-99-0
InChIKey RGWOFTGZWJGPHG-RQJHMYQMSA-N
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