6-(4-Hydroxy-2-Methylenebutyryl)-D-Glucopyranose

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Properties Simple | Detailed

Formula C11H18O8
IUPAC Name [(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl 4-hydroxy-2-methylene-butanoate
Molecular Mass 278.256 g·mol−1
Heat of Formation -1479.2 ± 16.7 kJ·mol−1
Dipole Moment 0.82 ± 1.08 D
Volume 312.04 Å 3
Surface Area 265.1 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-hydroxyethyl)acrylic acid [(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl ester
  • 4-hydroxy-2-methylenebutanoic acid [(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxy-2-tetrahydropyranyl]methyl ester
  • [(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-2-methylidene-butanoate
  • [(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
  • [(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl 4-hydroxy-2-methylene-butanoate
InChIKey NABVFHUVYXEKSQ-DZEUPHNYSA-N
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