Cylcophellitol

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Properties Simple | Detailed

Formula C7H12O5
IUPAC Name (1r,2r,3r,4s,5r,6s)-2-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-3,4,5-triol
Molecular Mass 176.167 g·mol−1
Heat of Formation -819.8 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 197.03 Å 3
Surface Area 183.05 Å 2
HOMO Energy -10.59 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3r,4s,5r,6s)-2-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-3,4,5-triol
  • (1r,2r,3r,4s,5r,6s)-2-methylol-7-oxabicyclo[4.1.0]heptane-3,4,5-triol
  • 1,6-epi-cyclophellitol
  • 5-hydroxymethyl-7-oxabicyclo(4,1,0)heptane-2,3,4-triol
  • cyclophellitol
  • d-myo-inositol, 1,2-anhydro-3-deoxy-3-(hydroxymethyl)-
  • epi-cpl
CAS Number(s)
  • 126661-83-4
InChIKey YQLWKYQDOQEWRD-GEGSFZHJSA-N
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