2-(3,4-Dihydroxyphenyl)-8-(1,1-Dioxido-1,2-Thiazolidin-2-Yl)-3-Hydroxy-6-Methyl-4H-Chromen-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C19H17NO7S
IUPAC Name 2-(3,4-dihydroxyphenyl)-8-[(2s)-1,1-dioxo-1,2-thiazolidin-2-yl]-3-hydroxy-6-methyl-chromen-4-one
Molecular Mass 403.406 g·mol−1
Heat of Formation -912.1 ± 16.7 kJ·mol−1
Dipole Moment 8.83 ± 1.08 D
Volume 430.59 Å 3
Surface Area 364.84 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-8-(1,1-diketo-1,2-thiazolidin-2-yl)-3-hydroxy-6-methyl-chromone
  • 2-(3,4-dihydroxyphenyl)-8-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-hydroxy-6-methyl-4-chromenone
  • 2-(3,4-dihydroxyphenyl)-8-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-hydroxy-6-methyl-chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-8-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-hydroxy-6-methylchromen-4-one
InChIKey CEXBEGBNDJVZPK-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N