2-[(2Z,5Z,7Z,9R,10R,11Z)-13-Hydroxy-3,7,9,11-Tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Trideca-2,5,7,11-Tetraenyl]-5,6-Dimethoxy-3-Methyl-Piperidine-2,3,5,6-Tetraid-4-One
Properties
| Property | Value |
|---|---|
| Formula | C31H52NO10+ |
| IUPAC Name | (2r,3r,5s,6r)-2-[(2z,5z,7z,9r,10r,11z)-13-hydroxy-3,7,9,11-tetramethyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-piperidin-1-ium-4-one |
| Molecular Mass | 598.745 g·mol−1 |
| Heat of Formation | -1719.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.14 ± 1.08 D |
| Volume | 735.8 Å 3 |
| Surface Area | 553.27 Å 2 |
| HOMO Energy | -8.26 ± 0.55 eV |
| LUMO Energy | 0.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BTHJFZNTEJQMBB-WVXVICPWSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |