ChemSpider 2D Image | glas#18 | C23H42O11

glas#18

  • Molecular FormulaC23H42O11
  • Average mass494.573 Da
  • Monoisotopic mass494.272705 Da
  • ChemSpider ID31150815

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1355683-57-6 [RN]
1-O-{(10R)-10-[(3,6-Dideoxy-α-L-arabino-hexopyranosyl)oxy]undecanoyl}-β-D-glucopyranose [ACD/IUPAC Name]
1-O-{(10R)-10-[(3,6-Didesoxy-α-L-arabino-hexopyranosyl)oxy]undecanoyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-{(10R)-10-[(3,6-Didésoxy-α-L-arabino-hexopyranosyl)oxy]undecanoyl}-β-D-glucopyranose [French] [ACD/IUPAC Name]
glas#18
β-D-Glucopyranose, 1-O-[(10R)-10-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-1-oxoundecyl]- [ACD/Index Name]
1-O-(10R-(3,6-dideoxy-α-L-arabino-hexopyranosyloxy)-undecanoyl)-β-D-glucopyranose
β-D-glucos-1''-yl-10R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-undecanoate
  • 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#18 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:79303
      An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#18 with the anomeric hydroxy group of beta-D-glucopyranose. It is a met abolite of the nematode Caenorhabditis elegans. ChEBI CHEBI:79303
      An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#18 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:79303

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 219.7±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 54.82
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 54.82
Polar Surface Area: 175 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 379.5±5.0 cm3

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