(2R)-2-[(1R)-1-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-2-Oxoethoxy]-3-Hydroxypropanal

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Properties Simple | Detailed

Formula C10H11N5O5
IUPAC Name (2r)-2-[(1r)-1-(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)-2-oxo-ethoxy]-3-hydroxy-propanal
Molecular Mass 281.225 g·mol−1
Heat of Formation -431.2 ± 16.7 kJ·mol−1
Dipole Moment 11.46 ± 1.08 D
Volume 309.94 Å 3
Surface Area 274.06 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(1r)-1-(2-amino-6-keto-3h-purin-9-yl)-2-keto-ethoxy]-3-hydroxy-propionaldehyde
  • (2r)-2-[(1r)-1-(2-amino-6-oxo-3h-purin-9-yl)-2-oxo-ethoxy]-3-hydroxy-propanal
  • (2r)-2-[(1r)-1-(2-amino-6-oxo-3h-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal
  • 9h-purine-9-acetaldehyde, 2-amino-alpha-(1-formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-, (r-(r*,r*))-
CAS Number(s)
  • 61074-06-4
InChIKey YSMPETHKGOIUHM-NTSWFWBYSA-N
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