6-O-Butyryl-1,2-O-Isopropylidene-α-D-Glucofuranose

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Properties Simple | Detailed

Formula C13H22O7
IUPAC Name [(2r)-2-[(3ar,5r,6s,6ar)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl] butanoate
Molecular Mass 290.310 g·mol−1
Heat of Formation -1394.7 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 338.35 Å 3
Surface Area 311.72 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 6-o-butanoyl-1,2-o-isopropylidene-alpha-d-glucofuranose
  • [(2r)-2-[(3ar,5r,6s,6ar)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl] butanoate
  • [(2r)-2-[(3ar,5r,6s,6ar)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]-2-hydroxyethyl] butanoate
  • alpha-d-glucofuranose, 1-2-o-(1-methylethylidene)-, 6-butanoate
  • butanoic acid [(2r)-2-[(3ar,5r,6s,6ar)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]-2-hydroxyethyl] ester
  • butyric acid [(2r)-2-[(3ar,5r,6s,6ar)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl] ester
  • esterbut-6
  • mag-6but
  • monoacetone glucose 6-butyrate
  • monobut-6
CAS Number(s)
  • 125161-48-0
InChIKey JFNYWUOXVCFHHV-AWHZUTQYSA-N
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