2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4H-Chromen-3-Yl β-D-Galactofuranoside

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Properties Simple | Detailed

Formula C21H20O12
IUPAC Name 3-[(2s,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-(3,4-dioxidobenzene-5-id-1-yl)-4-oxo-chromene-5,7-diolate
Molecular Mass 464.376 g·mol−1
Heat of Formation -1917.0 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 483.02 Å 3
Surface Area 402.7 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
  • 3-[(2s,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
  • 3-[(2s,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone
  • 3-[(2s,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
  • 3-[[(2s,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-tetrahydrofuranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-d-galactofuranosyloxy)-5,7-dihydroxy-
  • isohyperoside acetate
CAS Number(s)
  • 35589-21-0
InChIKey OPJZLUXFQFQYAI-KHPGOBPMSA-N
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