(-)-Quebrachitol

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Properties Simple | Detailed

Formula C7H14O6
IUPAC Name (1r,2s,4s,5r)-6-methoxycyclohexane-1,2,3,4,5-pentol
Molecular Mass 194.182 g·mol−1
Heat of Formation -1165.4 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 211.82 Å 3
Surface Area 191.46 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,4s,5r)-6-methoxycyclohexane-1,2,3,4,5-pentol
  • 2-o-methyl-chiro-inositol
  • d-chiro-inositol, 2-o-methyl-
CAS Number(s)
  • 3564-07-6
  • 642-38-6
InChIKey DSCFFEYYQKSRSV-FIZWYUIZSA-N
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