5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-3-Yl 2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydro-2-Furanyl]-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C18H4O15
IUPAC Name 3-[(2s,3r,4s,5r,6r)-3-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Mass 460.215 g·mol−1
Heat of Formation -2433.0 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 622.32 Å 3
Surface Area 470.83 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,3r,4s,5r,6r)-3-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
  • 3-[(2s,3r,4s,5r,6r)-3-[(2s,3r,4r)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone
  • 3-[[(2s,3r,4s,5r,6r)-3-[[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone
  • 3-kafg
  • kaempferol-3-o-(apiofuranosyl-(1'''-2''))-galactopyranoside
CAS Number(s)
  • 132294-84-9
InChIKey MNBRHJWOHPGQIW-QLAXZGQUSA-N
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