3-[(2E,4E,6E)-7-[(2S,3R,4S,5S)-5-[(1R,2R,3E,5E)-7-Amino-2-Methoxy-1,3-Dimethyl-Hepta-3,5-Dienyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-Methyl-Hepta-2,4,6-Trienoyl]-4-Hydroxy-1-Methyl-Pyridin-1-Ium-3-Id-2-One

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Formula C28H38N2O7+
IUPAC Name 3-[(2e,4e,6e)-7-[(2s,3r,4s,5s)-5-[(1r,2r,3e,5e)-7-amino-2-methoxy-1,3-dimethyl-hepta-3,5-dienyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-methyl-hepta-2,4,6-trienoyl]-4-hydroxy-1-methyl-pyridin-1-ium-3-id-2-one
Molecular Mass 514.611 g·mol−1
Heat of Formation -1014.4 ± 16.7 kJ·mol−1
Dipole Moment 7.58 ± 1.08 D
Volume 635.72 Å 3
Surface Area 551.25 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey DPJVULXTULFOLI-ZGLJUSCSSA-N
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