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

Molecule SVG Image

Properties Simple | Detailed

Formula C31H39N2O11+
IUPAC Name [(3r,4r,5r,6s)-5-hydroxy-6-[4-hydroxy-3-[(4-hydroxy-3-isopentyl-benzoyl)amino]-8-methyl-2-oxo-chromen-7-yl]oxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] carbamate
Molecular Mass 615.648 g·mol−1
Heat of Formation -1878.2 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 717.72 Å 3
Surface Area 581.56 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey JJYCENBZIMIWTM-TXGFFYAOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N