(2S)-2-{(2S,4Z)-4-{(2E,4E,6R)-6-[(1S,2S,5S,6S,7S)-1,6-Dimethylspiro[8,9-Dioxabicyclo[3.3.1]Non-3-Ene-2,2'-Oxiran]-7-Yl]-1-Hydroxy-4-Methyl-2,4-Heptadien-1-Ylidene}-1-[(2S,5S,6S)-5-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]-3,5-Dioxo-2-Pyrrolidinyl}-N-Methylpropanamide

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Properties Simple | Detailed

Formula C28H22N2O9+
IUPAC Name (3s)-10-hepta-1,3,5-triynyl-7-methylene-1,9-dioxaspiro[2.7]deca-4,5-dien-6-ol; hydroxy-[[1-(6-methylene-5-oxo-2h-pyran-2-yl)-3,5-dioxo-4-(oxomethylene)pyrrolidin-2-yl]methyl]ammonium
Molecular Mass 530.482 g·mol−1
Heat of Formation -1423.0 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 730.32 Å 3
Surface Area 566.93 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey KVTPRMVXYZKLIG-JWFPCVQRSA-N
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