(5S,6R)-6-[(1R,2R)-1,2-Dihydroxy-2-Phenylethyl]-5-Hydroxy-5,6-Dihydro-2H-Pyran-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C13H14O5
IUPAC Name (2r,3s)-2-[(1r,2r)-1,2-dihydroxy-2-phenyl-ethyl]-3-hydroxy-2,3-dihydropyran-6-one
Molecular Mass 250.247 g·mol−1
Heat of Formation -733.0 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 285.54 Å 3
Surface Area 251.33 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6r)-6-[(1r,2r)-1,2-dihydroxy-2-phenyl-ethyl]-5-hydroxy-5,6-dihydropyran-2-one
  • (5s,6r)-6-[(1r,2r)-1,2-dihydroxy-2-phenylethyl]-5-hydroxy-5,6-dihydropyran-2-one
  • 2h-pyran-2-one, 6-(1,2-dihydroxy-2-phenylethyl)-5,6-dihydro-5-hydroxy-, (5s-(5alpha,6alpha(1s*,2s*)))-
  • 6-(7,8-dihydro-7,8-dihydroxystyryl)-5,6-dihydro-5-hydroxy-2-pyrone
  • goniotriol
CAS Number(s)
  • 96405-62-8
InChIKey AWCDBKHWVKLXEE-WKSBVSIWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O