3-[(6-O-Acetyl-β-D-Glucopyranosyl)Oxy]-4-Hydroxybenzyl Benzoate

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Properties Simple | Detailed

Formula C22H24O10
IUPAC Name [3-[(2s,3r,4s,5s,6r)-6-(acetoxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4-hydroxy-phenyl]methyl benzoate
Molecular Mass 448.420 g·mol−1
Heat of Formation -1410.6 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 504.74 Å 3
Surface Area 387.05 Å 2
Point Group Symmetry C1
Synonyms
  • [3-[(2s,3r,4s,5s,6r)-6-(acetoxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4-hydroxy-phenyl]methyl benzoate
  • [3-[(2s,3r,4s,5s,6r)-6-(acetyloxymethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-4-hydroxy-phenyl]methyl benzoate
  • [3-[(2s,3r,4s,5s,6r)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]methyl benzoate
  • benzoic acid [3-[(2s,3r,4s,5s,6r)-6-(acetoxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4-hydroxy-benzyl] ester
  • benzoic acid [3-[[(2s,3r,4s,5s,6r)-6-(acetoxymethyl)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-4-hydroxyphenyl]methyl ester
InChIKey FUCUESRRBJSDMA-OUUKCGNVSA-N
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