(3S,4R,5R,6S)-6-[(8-Chloro-4-Hydroxy-3-{[4-Hydroxy-3-(3-Methyl-2-Buten-1-Yl)Benzoyl]Amino}-2-Oxo-2H-Chromen-7-Yl)Oxy]-5-Hydroxy-3-Methoxy-2,2-Dimethyltetrahydro-2H-Pyran-4-Yl 5-Methyl-1H-Pyrrole-2-Carboxylate

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Properties Simple | Detailed

Formula C35H38ClN2O11+
IUPAC Name [(3s,4r,5r,6s)-6-[8-chloro-4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxo-chromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] 2-methyl-3h-pyrrol-1-ium-3-ide-5-carboxylate
Molecular Mass 698.136 g·mol−1
Heat of Formation -1766.4 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 778.17 Å 3
Surface Area 604.51 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey FJAQNRBDVKIIKK-LOHKCFAQSA-N
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Elements H C N O Cl