[(4S,7R,8R)-7-Hydroxy-4-Oxido-5,6,7,8-Tetrahydro-3H-Pyrrolizin-4-Ium-1-Yl]Methyl (2R)-2-Hydroxy-2-[(1S)-1-Hydroxyethyl]-3-Methyl-Butanoate
Properties
| Property | Value |
|---|---|
| Formula | C15H26NO6+ |
| IUPAC Name | [(4s,7r,8r)-4,7-dihydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-4-ium-1-yl]methyl (2r)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methyl-butanoate |
| Molecular Mass | 316.370 g·mol−1 |
| Heat of Formation | -974.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.01 ± 1.08 D |
| Volume | 371.72 Å 3 |
| Surface Area | 295.93 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -0.23 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ITHGOUDGAOKTJV-POGFSQCLSA-N |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |