Thalassiolin A

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Properties Simple | Detailed

Formula C21H21O14S+
IUPAC Name 4-[7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxy-tetrahydropyran-2-yl]oxy-5-hydroxy-4-oxo-chromen-2-yl]benzene-3,5,6-triide-1,2-diolate
Molecular Mass 529.448 g·mol−1
Heat of Formation -1426.0 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 518.94 Å 3
Surface Area 445.38 Å 2
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2-o-sulfo-.beta.-d-glucopyranosyl)oxy]-
  • [(2s,3r,4s,5s,6r)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-keto-chromen-7-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl] hydrogen sulfate
  • [(2s,3r,4s,5s,6r)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
  • [(2s,3r,4s,5s,6r)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] hydrogen sulfate
  • [(2s,3r,4s,5s,6r)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
  • [(2s,3r,4s,5s,6r)-2-[[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-chromenyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl] hydrogen sulfate
InChIKey RADMEXUHLCJBEW-QNDFHXLGSA-N
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