(3R,4S,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

Molecule SVG Image

Properties Simple | Detailed

Formula C35H37ClN2O11
IUPAC Name [(3r,4s,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] 5-methyl-1h-pyrrole-2-carboxylate
Molecular Mass 697.128 g·mol−1
Heat of Formation -1708.2 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 785.25 Å 3
Surface Area 654.23 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
InChIKey FJAQNRBDVKIIKK-LFLQOBSNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl