(1-{[(2E)-2-Methyl-2-Butenoyl]Oxy}-2,3,5,7A-Tetrahydro-1H-Pyrrolizin-7-Yl)Methyl 3-Hydroxy-2,4-Dimethyl-5-Oxotetrahydro-3-Furancarboxylate
Properties
Property | Value |
---|---|
Formula | C20H27NO7 |
IUPAC Name | [(4s,7r,8s)-7-[(e)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s,3r,4s)-3-hydroxy-2,4-dimethyl-5-oxo-tetrahydrofuran-3-carboxylate |
Molecular Mass | 393.431 g·mol−1 |
Heat of Formation | -1209.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.20 ± 1.08 D |
Volume | 467.38 Å 3 |
Surface Area | 354.94 Å 2 |
HOMO Energy | -9.15 ± 0.55 eV |
LUMO Energy | 0.01 ± eV |
Point Group Symmetry | C1 |
InChIKey | LZKFLVDOCDILCY-QUYQTGMTSA-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 |