2-[(1E,3R,5E,7E,9R,10R,11E)-3-Hydroxy-3,7,9,11-Tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Trideca-1,5,7,11-Tetraenyl]-5,6-Dimethoxy-3-Methyl-Piperidine-2,3,5,6-Tetraid-4-One
Properties
Property | Value |
---|---|
Formula | C31H52NO10+ |
IUPAC Name | (2r,3s,5s,6r)-2-[(1e,3r,5e,7e,9r,10r,11e)-3-hydroxy-3,7,9,11-tetramethyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-trideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-piperidin-1-ium-4-one |
Molecular Mass | 598.745 g·mol−1 |
Heat of Formation | -1731.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.16 ± 1.08 D |
Volume | 740.07 Å 3 |
Surface Area | 496.41 Å 2 |
HOMO Energy | -8.70 ± 0.55 eV |
LUMO Energy | 2.33 ± eV |
Point Group Symmetry | C1 |
InChIKey | BOZITOKJXVXXHY-SFNXWKBMSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |