(5E)-7-(3-{[2-Hydroxy-3-(4-Hydroxy-3-Iodophenyl)Propyl]Amino}-6,6-Dimethylbicyclo[3.1.1]Hept-2-Yl)-5-Heptenoic Acid
Properties
Property | Value |
---|---|
Formula | C25H36INO4 |
IUPAC Name | (e)-7-[(1r,2s,3s,5s)-3-[[(2s)-2-hydroxy-3-(4-hydroxy-3-iodo-phenyl)propyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid |
Molecular Mass | 541.462 g·mol−1 |
Heat of Formation | -641.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.58 ± 1.08 D |
Volume | 586.6 Å 3 |
Surface Area | 473.3 Å 2 |
HOMO Energy | -8.67 ± 0.55 eV |
LUMO Energy | -0.10 ± eV |
Point Group Symmetry | C1 |
InChIKey | RCPAWLXQBMAVGJ-AIVWSCLSSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | I H C O N |