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

Molecule SVG Image

Properties Simple | Detailed

Formula C13H22O7
IUPAC Name [(3ar,5r,6s,6ar)-5-[(1r)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate
Molecular Mass 290.310 g·mol−1
Heat of Formation -1386.4 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 334.37 Å 3
Surface Area 299.39 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 3-o-butanoyl-1,2-o-isopropylidene-alpha-d-glucofuranose
  • [(3ar,5r,6s,6ar)-5-[(1r)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl] butanoate
  • alpha-d-glucofuranose, 1,2-o-(1-methylethylidene)-, 3-butanoate
  • butanoic acid [(3ar,5r,6s,6ar)-5-[(1r)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl] ester
  • butyric acid [(3ar,5r,6s,6ar)-5-[(1r)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl] ester
  • esterbut-3
  • mag-3but
  • monoacetone glucose 3-butyrate
  • monobut-3
CAS Number(s)
  • 125161-47-9
InChIKey WFVFQUPBGWFLMB-DVYMNCLGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O