ChemSpider 2D Image | glas#16 | C22H40O11

glas#16

  • Molecular FormulaC22H40O11
  • Average mass480.546 Da
  • Monoisotopic mass480.257050 Da
  • ChemSpider ID31150814

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1355683-55-4 [RN]
1-O-{(9R)-9-[(3,6-Dideoxy-α-L-arabino-hexopyranosyl)oxy]decanoyl}-β-D-glucopyranose [ACD/IUPAC Name]
1-O-{(9R)-9-[(3,6-Didesoxy-α-L-arabino-hexopyranosyl)oxy]decanoyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-{(9R)-9-[(3,6-Didésoxy-α-L-arabino-hexopyranosyl)oxy]decanoyl}-β-D-glucopyranose [French] [ACD/IUPAC Name]
glas#16
β-D-Glucopyranose, 1-O-[(9R)-9-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-1-oxodecyl]- [ACD/Index Name]
1-O-(9R-(3,6-dideoxy-α-L-arabino-hexopyranosyloxy)-decanoyl)-β-D-glucopyranose
β-D-glucos-1''-yl-9R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-decanoate
  • 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#16 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:79302
      An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#16 with the anomeric hydroxy group of beta-D-glucopyranose. It is a met abolite of the nematode Caenorhabditis elegans. ChEBI CHEBI:79302
      An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#16 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:79302

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±6.0 kJ/mol
Flash Point: 221.2±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.35
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.35
Polar Surface Area: 175 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 363.4±5.0 cm3

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