Methyl 9-{[3-O-(α-D-Glucopyranosyl)-α-D-Mannopyranosyl]Oxy}Nonanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C22H40O13
IUPAC Name methyl 9-[(2s,3s,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxynonanoate
Molecular Mass 512.545 g·mol−1
Heat of Formation -2573.9 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 607.52 Å 3
Surface Area 519.28 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 8-mcogm
  • 8-methoxycarbonyloctyl-3-o-(alpha-glucopyranosyl)-alpha-mannopyranoside
  • 8-methoxycarbonyloctyl-3-o-glucopyranosyl-mannopyranoside
  • 9-[(2s,3s,4s,5r,6r)-3,5-dihydroxy-6-methylol-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxypelargonic acid methyl ester
  • 9-[[(2s,3s,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]nonanoic acid methyl ester
  • methyl 9-[(2s,3s,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxynonanoate
  • methyl 9-[(2s,3s,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoate
  • methyl 9-[(2s,3s,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxynonanoate
CAS Number(s)
  • 154354-46-8
InChIKey DPPFTOHFHJFIMC-XIGWDEPYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O