4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-[(6-Deoxy-α-D-Glucopyranosyl)Oxy]-5,6-Dihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl]Amino}-α-D-Glucopyranosyl-(1->4)-α-D-Glucopyranosyl-(1->4)-α-D-Glucopyranose

Molecule SVG Image

Properties Simple | Detailed

Formula C31H53NO22
IUPAC Name (2r,3r,4s,5s,6r)-2-[(1r,4s,5s,6r)-4-[[(2r,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
Molecular Mass 791.746 g·mol−1
Heat of Formation -4190.2 ± 16.7 kJ·mol−1
Dipole Moment 10.10 ± 1.08 D
Volume 873.78 Å 3
Surface Area 639.64 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[[(1r,4s,5s,6r)-4-[[(2r,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-dihydroxy-2-methyl-oxan-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)-1-cyclohex-2-enyl]oxy]-6-methyl-oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(1r,4s,5s,6r)-4-[[(2r,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)-1-cyclohex-2-enyl]oxy]-6-methyloxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(1r,4s,5s,6r)-4-[[(2r,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)-1-cyclohex-2-enyl]oxy]-6-methyl-tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(1r,4s,5s,6r)-4-[[(2r,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-methylol-6-[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]amino]-5,6-dihydroxy-2-methylol-1-cyclohex-2-enyl]oxy]-6-methyl-tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(1r,4s,5s,6r)-4-[[(2r,3s,4s,5r,6r)-6-[[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]oxy]-4,5-dihydroxy-2-methyl-3-tetrahydropyranyl]amino]-5,6-dihydroxy-2-(hydroxymethyl)-1-cyclohex-2-enyl]oxy]-6-methyltetrahydropyran-3,4,5-triol
  • acg
  • modified acarbose pentasaccharide
InChIKey QWNATFSCUHKKDP-WYKVUHPSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N