(2E)-2-Cyano-4-(α-L-Talopyranosyloxy)-2-Buten-1-Yl (2E)-3-(4-Hydroxy-3-Methoxyphenyl)Acrylate

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Properties Simple | Detailed

Formula C21H25NO10
IUPAC Name [(e)-2-cyano-4-[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enyl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Molecular Mass 451.424 g·mol−1
Heat of Formation -1469.1 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 512.76 Å 3
Surface Area 447.12 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-2-cyano-4-(hexopyranosyloxy)but-2-en-1-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)acrylate
  • (e)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(e)-2-cyano-4-[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-but-2-enyl] ester
  • (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(e)-2-cyano-4-[[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]but-2-enyl] ester
  • 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (2e)-2-cyano-4-(hexopyranosyloxy)-2-butenyl ester, (2e)-
  • 2-trans-feruloyloxymethyl-4-beta-d-glucopyranosyloxy-2(e)-butenenitrile
  • 3-(4-hydroxy-3-methoxy-phenyl)-acrylic acid 2-cyano-4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-but-2-enyl ester
  • [(e)-2-cyano-4-[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-but-2-enyl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [(e)-2-cyano-4-[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • [(e)-2-cyano-4-[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enyl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
InChIKey ZZGPJESHTGYKSG-CGKYZXLPSA-N
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