(1R,2R)-2-Hydroxy-2-[(2R,3S)-3-Hydroxy-6-Oxo-3,6-Dihydro-2H-Pyran-2-Yl]-1-Phenylethyl (2E)-3-Phenylacrylate

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Properties Simple | Detailed

Formula C22H20O6
IUPAC Name [(1r,2r)-2-hydroxy-2-[(2r,3s)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenyl-ethyl] (e)-3-phenylprop-2-enoate
Molecular Mass 380.391 g·mol−1
Heat of Formation -701.1 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 440.69 Å 3
Surface Area 389.97 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-phenylacrylic acid [(1r,2r)-2-hydroxy-2-[(2r,3s)-3-hydroxy-6-keto-2,3-dihydropyran-2-yl]-1-phenyl-ethyl] ester
  • (e)-3-phenylprop-2-enoic acid [(1r,2r)-2-hydroxy-2-[(2r,3s)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] ester
  • [(1r,2r)-2-hydroxy-2-[(2r,3s)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenyl-ethyl] (e)-3-phenylprop-2-enoate
  • [(1r,2r)-2-hydroxy-2-[(2r,3s)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (e)-3-phenylprop-2-enoate
  • d-xylo-hept-2-enonic acid, 2,3-dideoxy-7-c-phenyl-, delta-lactone, 7-((2e)-3-phenyl-2-propenoate), (7r)-
CAS Number(s)
  • 190848-69-2
InChIKey HCJURVKKVSCZRL-VTWBULIDSA-N
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