4-({(1R,2S,3S,4R)-4-(Chloromethyl)-4-Hydroxy-2-Methoxy-3-[(2R,3R)-2-Methyl-3-(3-Methyl-2-Buten-1-Yl)-2-Oxiranyl]Cyclohexyl}Oxy)-4-Oxobutanoic Acid
Properties
Property | Value |
---|---|
Formula | C20H31ClO7 |
IUPAC Name | 4-[(1r,2s,3s,4r)-4-(chloromethyl)-4-hydroxy-2-methoxy-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexoxy]-4-oxo-butanoic acid |
Molecular Mass | 418.909 g·mol−1 |
Heat of Formation | -1384.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.36 ± 1.08 D |
Volume | 500.65 Å 3 |
Surface Area | 392.95 Å 2 |
HOMO Energy | -9.54 ± 0.55 eV |
LUMO Energy | 3.63 ± eV |
Point Group Symmetry | C1 |
InChIKey | FKTJAQKUCINAIF-JNYDFHNISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Cl |