2-[(2S)-5-Acetyl-2,3-Dihydro-1-Benzofuran-2-Yl]-2-Propen-1-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C19H24O8
IUPAC Name 1-[(2s)-2-[1-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]vinyl]-2,3-dihydrobenzofuran-5-yl]ethanone
Molecular Mass 380.389 g·mol−1
Heat of Formation -1315.6 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 435.86 Å 3
Surface Area 328.44 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s)-2-[1-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]vinyl]-2,3-dihydrobenzofuran-5-yl]ethanone
  • 1-[(2s)-2-[1-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]vinyl]-2,3-dihydrobenzofuran-5-yl]ethanone
  • 1-[(2s)-2-[1-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]vinyl]-2,3-dihydrobenzofuran-5-yl]ethanone
  • 1-[(2s)-2-[3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone
InChIKey TTWVIHLNMJFBMC-SWAOIJHYSA-N
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