(1R,4S,5R)-3-(1-Benzothiophen-2-Ylmethoxy)-1,4,5-Trihydroxy-2-(2-Thienylmethyl)-2-Cyclohexene-1-Carboxylic Acid
Properties
Property | Value |
---|---|
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 |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O |