(3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-3,5,7,11-Tetramethyl-2,8-Dioxooxacyclododec-9-En-4-Yl N,N-Dimethyl-β-Alaninate
Properties
Property | Value |
---|---|
Formula | C22H37NO5 |
IUPAC Name | [(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxo-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate |
Molecular Mass | 395.533 g·mol−1 |
Heat of Formation | -1060.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.57 ± 1.08 D |
Volume | 519.31 Å 3 |
Surface Area | 399.09 Å 2 |
HOMO Energy | -9.05 ± 0.55 eV |
LUMO Energy | 0.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | ARTBSYNHBBHIBV-HSYQSNAQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |