Methyl [7-(β-D-Galactopyranosyloxy)-2-Oxo-2H-Chromen-4-Yl]Acetate

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Properties Simple | Detailed

Formula C18H20O10
IUPAC Name methyl 2-[2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-yl]acetate
Molecular Mass 396.345 g·mol−1
Heat of Formation -1615.1 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 434.01 Å 3
Surface Area 372.63 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1'-biphenyl)-4,4'-dicarboxylic acid, 2-methylbutyl 4-(4-pentenyl)phenyl ester, (s)-
  • 2-[2-keto-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromen-4-yl]acetic acid methyl ester
  • 2-[2-oxo-7-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenyl]acetic acid methyl ester
  • 7-beta-galactopyranosyl-oxycoumarin-4-acetic acid methyl ester
  • gpoca-me
  • methyl 2-[2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-yl]ethanoate
  • methyl 2-[2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetate
  • methyl 2-[2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-yl]acetate
CAS Number(s)
  • 127615-75-2
InChIKey KECAQLCDHILXFI-COWMOVNHSA-N
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