[7-(β-D-Galactopyranosyloxy)-2-Oxo-2H-Chromen-4-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C17H18O10
IUPAC Name 2-[2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-yl]acetic acid
Molecular Mass 382.319 g·mol−1
Heat of Formation -1628.9 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 412.61 Å 3
Surface Area 357.64 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-keto-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromen-4-yl]acetic acid
  • 2-[2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-yl]ethanoic acid
  • 2-[2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetic acid
  • 2-[2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-yl]acetic acid
  • 2-[2-oxo-7-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenyl]acetic acid
  • 7-beta-galactopyranosyloxycoumarin-4-acetic acid
  • gpoca
CAS Number(s)
  • 127615-74-1
InChIKey QFIOCPUZLBGHSQ-RDZAWVCESA-N
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