(1R,4S,5R)-3-(1-Benzothiophen-2-Ylmethoxy)-1,4,5-Trihydroxy-2-(2-Thienylmethyl)-2-Cyclohexene-1-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H20O6S2
IUPAC Name (1r,4s,5r)-3-(benzothiophen-2-ylmethoxy)-1,4,5-trihydroxy-2-(2-thienylmethyl)cyclohex-2-ene-1-carboxylic acid
Molecular Mass 432.510 g·mol−1
Heat of Formation -780.4 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 478.18 Å 3
Surface Area 388.75 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey ILDPLWRWUROBLZ-PLMTUMEDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O