(2R)-2-[(1R)-1-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-2-Oxoethoxy]-3-Hydroxypropanal

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Properties Simple | Detailed

Formula C9H11N3O5
IUPAC Name (2r)-2-[(1r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-2-oxo-ethoxy]-3-hydroxy-propanal
Molecular Mass 241.201 g·mol−1
Heat of Formation -639.7 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 268.48 Å 3
Surface Area 242.49 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(1r)-1-(4-amino-2-keto-pyrimidin-1-yl)-2-keto-ethoxy]-3-hydroxy-propionaldehyde
  • (2r)-2-[(1r)-1-(4-amino-2-oxo-1-pyrimidinyl)-2-oxoethoxy]-3-hydroxypropanal
  • (2r)-2-[(1r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-2-oxo-ethoxy]-3-hydroxy-propanal
  • (2r)-2-[(1r)-1-(4-amino-2-oxopyrimidin-1-yl)-2-oxoethoxy]-3-hydroxypropanal
  • 1(2h)-pyrimidineacetaldehyde, 4-amino-.alpha.-(1-formyl-2-hydroxyethoxy)-2-oxo-, (r-(r*,r*))-
  • diglycolaldehyde, l-.alpha.-(4-amino-2-oxo-1(2h)-pyrimidinyl)-d-.alpha.'-(hydroxymethyl)-
CAS Number(s)
  • 61074-05-3
InChIKey OPPFZVJHCMHEOB-POYBYMJQSA-N
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