(3S)-3-(3-Hydroxy-2,4-Dimethoxyphenyl)-3,4-Dihydro-2H-Chromen-7-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C23H28O10
IUPAC Name (2s,3r,4s,5s,6r)-2-[(3s)-3-(3-hydroxy-2,4-dimethoxy-phenyl)chroman-7-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 464.462 g·mol−1
Heat of Formation -1583.8 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 516.14 Å 3
Surface Area 447.32 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(3s)-3-(3-hydroxy-2,4-dimethoxy-phenyl)chroman-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(3s)-3-(3-hydroxy-2,4-dimethoxy-phenyl)chroman-7-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(3s)-3-(3-hydroxy-2,4-dimethoxy-phenyl)chroman-7-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(3s)-3-(3-hydroxy-2,4-dimethoxyphenyl)-7-chromanyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • beta-d-glucopyranoside, 3,4-dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-2h-1-benzopyran-7-yl, (s)-
CAS Number(s)
  • 131749-60-5
InChIKey ABIQOWLHYABFIJ-IMVNFGOTSA-N
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