D-3-Deoxyglucosone

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Properties Simple | Detailed

Formula C6H10O5
IUPAC Name (4s,5r)-4,5,6-trihydroxy-2-oxo-hexanal
Molecular Mass 162.141 g·mol−1
Heat of Formation -861.5 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 186.05 Å 3
Surface Area 185.61 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r)-4,5,6-trihydroxy-2-keto-hexanal
  • (4s,5r)-4,5,6-trihydroxy-2-oxo-hexanal
  • (4s,5r)-4,5,6-trihydroxy-2-oxohexanal
  • 3-deoxy-d-erythro-hexos-2-ulose
  • 3-deoxy-d-glucosone
  • 3-deoxyglucosone
  • d-erythro-hexos-2-ulose, 3-deoxy-
  • d-erythro-hexosulose, 3-deoxy-
CAS Number(s)
  • 4084-27-9
InChIKey ZGCHLOWZNKRZSN-NTSWFWBYSA-N
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