Thalassiolin C

Molecule SVG Image

Properties Simple | Detailed

Formula C19H10O13S
IUPAC Name 1-[(3ar,8e)-5,6-dioxo-8-[2-(oxomethylene)cyclopropylidene]-4,9b-dihydro-3ah-[1,3]dioxolo[4,5-h]chromen-2-yl]pent-4-ene-1,2,3,5-tetrone; sulfur trioxide
Molecular Mass 478.340 g·mol−1
Heat of Formation -2074.2 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 518.2 Å 3
Surface Area 445.39 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2-o-sulfo-.beta.-d-glucopyranosyl)oxy]-
  • [(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-6-methylol-tetrahydropyran-3-yl] hydrogen sulfate
  • [(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
  • [(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3-yl] hydrogen sulfate
  • [(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
  • [(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-chromenyl]oxy]-6-(hydroxymethyl)-3-tetrahydropyranyl] hydrogen sulfate
InChIKey JVXAACCAUUVSMP-QNDFHXLGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O