{(2S,3R,5S,6S)-6-[(2S,3S,4S,6R)-6-{(2S,2'R,3'R,4S,5'S)-5'-Ethyl-2'-Hydroxy-5'-[(1S)-1-Hydroxyethyl]-2,3',4-Trimethyloctahydro-2,2'-Bifuran-5-Yl}-3-Hydroxy-4-Methyl-5-Oxo-2-Octanyl]-3,5-Dimethyltetrahydro-2H-Pyran-2-Yl}Ethaneperoxoic Acid
Properties
Property | Value |
---|---|
Formula | C33H58O10 |
IUPAC Name | 2-[(2s,3r,5s,6s)-6-[(1s,2s,3s,5r)-5-[(2s,3s,5s)-5-[(2r,3r,5s)-5-ethyl-2-hydroxy-5-[(1s)-1-hydroxyethyl]-3-methyl-tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-3,5-dimethyl-tetrahydropyran-2-yl]peroxyacetic acid |
Molecular Mass | 614.808 g·mol−1 |
Heat of Formation | -2111.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.33 ± 1.08 D |
Volume | 782.47 Å 3 |
Surface Area | 508.63 Å 2 |
HOMO Energy | -9.70 ± 0.55 eV |
LUMO Energy | 3.72 ± eV |
Point Group Symmetry | C1 |
InChIKey | TUKSVVJYALUTJH-UIXVFWCJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |