(1R,4S,5R)-1,4,5-Trihydroxy-3-[(5-Methyl-1-Benzothiophen-2-Yl)Methoxy]-2-Cyclohexene-1-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C17H18O6S |
IUPAC Name | (1r,4s,5r)-1,4,5-trihydroxy-3-[(5-methylbenzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid |
Molecular Mass | 350.386 g·mol−1 |
Heat of Formation | -933.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.62 ± 1.08 D |
Volume | 391.13 Å 3 |
Surface Area | 352.59 Å 2 |
HOMO Energy | -8.73 ± 0.55 eV |
LUMO Energy | 2.00 ± eV |
Point Group Symmetry | C1 |
InChIKey | BNUWPGVZRDEWEX-ISTRZQFTSA-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 |