(2R,3S,6R)-2,3-Dihydroxy-6-(Hydroxymethyl)-4-{[(4R,5S,6S)-4,5,6-Trihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl]Amino}Cyclohexyl L-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C20H35NO13
IUPAC Name (2r,3r,4s,5s,6r)-2-[(1s,2s,3r,4r,6s)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1s,4s,5r,6r)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 497.491 g·mol−1
Heat of Formation -2446.9 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 554.25 Å 3
Surface Area 442.99 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
InChIKey JARYYMUOCXVXNK-TZYZEXDCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N