(3R,5R)-7-[3-(4-Biphenylylcarbamoyl)-2-Ethyl-5,6,7,8-Tetrahydrocyclohepta[B]Pyrrol-1(4H)-Yl]-3,5-Dihydroxyheptanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C31H38N2O5 |
| IUPAC Name | (3r,5r)-7-[2-ethyl-3-[(4-phenylphenyl)carbamoyl]-5,6,7,8-tetrahydro-4h-cyclohepta[b]pyrrol-1-ium-8a-ylium-1-yl]-3,5-dihydroxy-heptanoic acid |
| Molecular Mass | 518.644 g·mol−1 |
| Heat of Formation | -869.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.96 ± 1.08 D |
| Volume | 648.24 Å 3 |
| Surface Area | 546.56 Å 2 |
| HOMO Energy | -8.34 ± 0.55 eV |
| LUMO Energy | 3.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OUBFNRRLNMXSKZ-JWQCQUIFSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |