α-D-Glucopyranosyl 2-Deoxy-Beta-D-Arabino-Hexopyranosyl-(1->2)-2-C-Acetamido-1-C-Methyl-α-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C21H20NO16
IUPAC Name formaldehyde; (2r,4r,5r,7s,12r)-4-[(z)-2-hydroxyvinyloxy]-5-isocyano-4-methyl-10-oxo-7-(2-oxoethyl)-9,13-bis(oxomethylene)-1,3,6,8,11-pentaoxacyclotridecane-2,5,12-tricarbaldehyde; methanone
Molecular Mass 542.381 g·mol−1
Heat of Formation -3117.5 ± 16.7 kJ·mol−1
Dipole Moment 6.12 ± 1.08 D
Volume 601.74 Å 3
Surface Area 421.77 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 3.79 ± eV
Point Group Symmetry C1
Synonyms
  • m-ac-dglu-glu-glu
  • methyl o-(2-acetamido-2-deoxy-beta-glucopyranosyl)-(1-6)-o-alpha-glucopyranosyl-(1-2)-alpha-glucopyranoside
  • n-[(2r,3r,4s,5s,6r)-3-[(2s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2r,3r,4s,5s,6r)-3-[(2s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
  • n-[(2r,3r,4s,5s,6r)-3-[(2s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4s,5s,6r)-3-[(2s,4r,5s,6r)-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-2-methyl-6-methylol-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4s,5s,6r)-3-[[(2s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 130051-18-2
InChIKey DUQPCGIDWOLMJT-XGQRAZMRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N