4-(β-D-Glucopyranosyloxy)-2,2-Dihydroxybutyl Propionate

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Properties Simple | Detailed

Formula C13H24O10
IUPAC Name [2,2-dihydroxy-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butyl] propanoate
Molecular Mass 340.324 g·mol−1
Heat of Formation -1950.3 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 387.26 Å 3
Surface Area 349.98 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • [2,2-dihydroxy-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-butyl] propanoate
  • [2,2-dihydroxy-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl] propanoate
  • [2,2-dihydroxy-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butyl] propanoate
  • in1
  • propanoic acid [2,2-dihydroxy-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]butyl] ester
  • propionic acid 2,2-dihydroxy-3-(1-glucopyranosyloxy)-methylpropyl ester
  • propionic acid [2,2-dihydroxy-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butyl] ester
InChIKey LNJDDDXXDSOXEJ-DVYMNCLGSA-N
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