3-Hydroxy-2-[3-(4-Hydroxyphenyl)Propanoyl]-5-Methoxyphenyl α-L-Talopyranoside

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Properties Simple | Detailed

Formula C22H26O10
IUPAC Name 1-[2-hydroxy-4-methoxy-6-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
Molecular Mass 450.436 g·mol−1
Heat of Formation -1709.7 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 502.62 Å 3
Surface Area 383.93 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-hydroxy-4-methoxy-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-3-(4-hydroxy-phenyl)-propan-1-one
  • 1-[2-hydroxy-4-methoxy-6-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[2-hydroxy-4-methoxy-6-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[2-hydroxy-4-methoxy-6-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[2-hydroxy-4-methoxy-6-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[2-hydroxy-4-methoxy-6-[[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-propanone, 1-[2-(hexopyranosyloxy)-6-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)-
  • 2',4-dihydroxy-4'-methoxy-6'-o-(beta-glucopyranoside) dihydrochalcone
  • 3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenyl hexopyranoside
CAS Number(s)
  • 11075-15-3
InChIKey PQCIBORQLVRFMR-PQZYZXGRSA-N
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