3-Deoxy-3-[(2,3,5,6-Tetrafluoro-4-Methoxybenzoyl)Amino]-β-D-Galactopyranosyl 3-Deoxy-2-O-Sulfo-3-[(2,3,5,6-Tetrafluoro-4-Methoxybenzoyl)Amino]-1-Thio-β-D-Galactopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C28H28F8N2O15S2
IUPAC Name [(2s,3r,4s,5r,6r)-2-[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2,3,5,6-tetrafluoro-4-methoxy-benzoyl)amino]tetrahydropyran-2-yl]sulfanyl-5-hydroxy-6-(hydroxymethyl)-4-[(2,3,5,6-tetrafluoro-4-methoxy-benzoyl)amino]tetrahydropyran-3-yl] hydrogen sulfate
Molecular Mass 848.644 g·mol−1
Heat of Formation -3856.4 ± 16.7 kJ·mol−1
Dipole Moment 6.77 ± 1.08 D
Volume 840.16 Å 3
Surface Area 664.04 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
InChIKey AQVNDVRBIXSQST-KZXKKSJMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S