ChemSpider 2D Image | glas#20 | C24H44O11

glas#20

  • Molecular FormulaC24H44O11
  • Average mass508.600 Da
  • Monoisotopic mass508.288361 Da
  • ChemSpider ID31150816

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1355683-59-8 [RN]
1-O-{(11R)-11-[(3,6-Dideoxy-α-L-arabino-hexopyranosyl)oxy]dodecanoyl}-β-D-glucopyranose [ACD/IUPAC Name]
1-O-{(11R)-11-[(3,6-Didesoxy-α-L-arabino-hexopyranosyl)oxy]dodecanoyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-{(11R)-11-[(3,6-Didésoxy-α-L-arabino-hexopyranosyl)oxy]dodecanoyl}-β-D-glucopyranose [French] [ACD/IUPAC Name]
glas#20
β-D-Glucopyranose, 1-O-[(11R)-11-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-1-oxododecyl]- [ACD/Index Name]
1-O-(11R-(3,6-dideoxy-α-L-arabino-hexopyranosyloxy)-dodecanoyl)-β-D-glucopyranose
β-D-glucos-1''-yl-11R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-dodecanoate
  • Miscellaneous

    • Chemical Class:

      An ascarosyloxycarboxylic acid <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#20 with the anomeric hydroxy group of <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranose. It is a metabolite of the nematode <ital>Caenorhabditis elegans</ital>. ChEBI CHEBI:79304
      An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#20 with the anomeric hydroxy group of beta-D-glucopyranose. It is a met abolite of the nematode Caenorhabditis elegans. ChEBI CHEBI:79304
      An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#20 with the anomeric hydroxy group of; beta-D-glucopyranose. It is a m etabolite of the nematode Caenorhabditis elegans. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79304

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 677.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±6.0 kJ/mol
Flash Point: 220.0±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.47
ACD/KOC (pH 5.5): 101.57
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.47
ACD/KOC (pH 7.4): 101.57
Polar Surface Area: 175 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 395.6±5.0 cm3

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