D-Threo-Hexo-2,5-Diulosonate

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Properties Simple | Detailed

Formula C6H7O7-
IUPAC Name (3s,4s)-3,4,6-trihydroxy-2,5-dioxohexanoate
Molecular Mass 191.116 g·mol−1
Heat of Formation -777.8 ± 16.7 kJ·mol−1
Dipole Moment 0.75 ± 1.08 D
Volume 241.87 Å 3
Surface Area 226.03 Å 2
HOMO Energy -12.29 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s)-3,4,6-trihydroxy-2,5-diketo-hexanoate
  • (3s,4s)-3,4,6-trihydroxy-2,5-dioxo-hexanoate
  • 2,5-didehydro-d-gluconate
  • 2-dehydro-l-idonate
InChIKey RXMWXENJQAINCC-DMTCNVIQSA-M
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