(1R)-1,5-Anhydro-1-(5-Methyl-1,3,4-Oxadiazol-2-Yl)-D-Glucitol

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Properties Simple | Detailed

Formula C9H14N2O6
IUPAC Name (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydropyran-3,4,5-triol
Molecular Mass 246.217 g·mol−1
Heat of Formation -902.2 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 268.95 Å 3
Surface Area 252.57 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-methylol-6-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydropyran-3,4,5-triol
  • 2-(beta-d-glucopyranosyl)-5-methyl-1,3,4-oxadiazole
  • 2-(beta-d-glucosyl)-5-methyl-1,3,4-oxadiazole
  • ox2
InChIKey HCSFWJQLIPWUFZ-JAJWTYFOSA-N
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