5-[(1S,2R,6R)-2-Hydroxy-5-Oxo-4-{[(2E,4R,6S)-4,6,8-Trimethyl-2,7-Nonadienoyl]Amino}-7-Oxabicyclo[4.1.0]Hept-3-En-2-Yl]Pentanoic Acid
Properties
Property | Value |
---|---|
Formula | C23H33NO6 |
IUPAC Name | 5-[(1s,5r,6r)-5-hydroxy-2-oxo-3-[[(2e,4r,6r)-4,6,8-trimethylnona-2,7-dienoyl]amino]-7-oxabicyclo[4.1.0]hept-3-en-5-yl]pentanoic acid |
Molecular Mass | 419.511 g·mol−1 |
Heat of Formation | -1006.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.60 ± 1.08 D |
Volume | 535.49 Å 3 |
Surface Area | 448.96 Å 2 |
HOMO Energy | -9.41 ± 0.55 eV |
LUMO Energy | -0.92 ± eV |
Point Group Symmetry | C1 |
InChIKey | PZLHSEIQCKXDHC-NJLWZSOQSA-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 |