1,6-Di-O-Phosphono-D-Sorbose

Molecule SVG Image

Properties Simple | Detailed

Formula C6H14O12P2
IUPAC Name [(2r,3s,4r)-2,3,4-trihydroxy-5-oxo-6-phosphonooxy-hexyl] dihydrogen phosphate
Molecular Mass 340.116 g·mol−1
Heat of Formation -2814.2 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 323.52 Å 3
Surface Area 296.21 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r)-2,3,4-trihydroxy-5-keto-6-phosphonooxy-hexyl] dihydrogen phosphate
  • [(2r,3s,4r)-2,3,4-trihydroxy-5-oxo-6-phosphonooxy-hexyl] dihydrogen phosphate
  • [(2r,3s,4r)-2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl] dihydrogen phosphate
InChIKey XPYBSIWDXQFNMH-PYWDMBMJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O H