2-Acetamido-2-Deoxy-β-D-Glucopyranosyl-(1->3)-[2-Amino-2-Deoxy-β-D-Glucopyranosyl-(1->4)]-2-Acetamido-2-Deoxy-D-Glucose

Molecule SVG Image

Properties Simple | Detailed

Formula C22H39N3O15
IUPAC Name n-[(2r,3r,4r,5s,6r)-2-[(1r,2s,3r)-1-[(1r)-1-acetamido-2-oxo-ethyl]-2-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4-dihydroxy-butoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 585.556 g·mol−1
Heat of Formation -2765.0 ± 16.7 kJ·mol−1
Dipole Moment 13.19 ± 1.08 D
Volume 663.51 Å 3
Surface Area 480.79 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
InChIKey QJKNXGWUJQHJMA-SGMKYNOBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N