1-O-Phosphono-D-Xylulose

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Properties Simple | Detailed

Formula C5H11O8P
IUPAC Name [(3s,4r)-3,4,5-trihydroxy-2-oxo-pentyl] dihydrogen phosphate
Molecular Mass 230.110 g·mol−1
Heat of Formation -1756.3 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 231.85 Å 3
Surface Area 225.8 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,4r)-3,4,5-trihydroxy-2-keto-pentyl] dihydrogen phosphate
  • [(3s,4r)-3,4,5-trihydroxy-2-oxo-pentyl] dihydrogen phosphate
  • [(3s,4r)-3,4,5-trihydroxy-2-oxopentyl] dihydrogen phosphate
  • l-threo-2-pentulose, 1-(dihydrogen phosphate)
  • l-threo-pentulose 1-phosphate
  • xylulose-1-phosphate
CAS Number(s)
  • 2547-08-2
InChIKey NBOCCPQHBPGYCX-WUJLRWPWSA-N
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