Propyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C9H18O6
IUPAC Name (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-propoxy-tetrahydropyran-3,4,5-triol
Molecular Mass 222.236 g·mol−1
Heat of Formation -1148.2 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 264.89 Å 3
Surface Area 248.23 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-propoxy-oxane-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-propoxy-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-propoxyoxane-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-propoxytetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-methylol-6-propoxy-tetrahydropyran-3,4,5-triol
InChIKey ITOWTHYPYGRTRL-SYHAXYEDSA-N
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