ChemSpider 2D Image | ascr#10 | C15H28O6

ascr#10

  • Molecular FormulaC15H28O6
  • Average mass304.379 Da
  • Monoisotopic mass304.188599 Da
  • ChemSpider ID31150603

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(8R)-8-[(3,6-Dideoxy-α-L-arabino-hexopyranosyl)oxy]nonanoic acid [ACD/IUPAC Name]
(8R)-8-[(3,6-Didesoxy-α-L-arabino-hexopyranosyl)oxy]nonansäure [German] [ACD/IUPAC Name]
1355681-08-1 [RN]
Acide (8R)-8-[(3,6-didésoxy-α-L-arabino-hexopyranosyl)oxy]nonanoïque [French] [ACD/IUPAC Name]
ascr#10
Nonanoic acid, 8-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-, (8R)- [ACD/Index Name]
(R)-8-(((2R,3R,5R,6S)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)nonanoic acid
8R-(3,6-dideoxy-α-L-arabino-hexopyranosyloxy)nonanoic acid
8R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-nonanoic acid
  • Miscellaneous

    • Chemical Class:

      An (<locant>omega</locant><minus/>1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (8<stereo>R</stereo>)-8-hydroxynonanoic acid with ascarylopyranose (the <stereo>alpha</stereo> anomer). A metabolite of the nematode <ital>Caenorhabditis elegans</ital>, it is the direct biosynthetic precursor to ascr#3. It has also been detected in the sour paste ne matode, <ital>Panagrellus redivivus</ital>. ChEBI CHEBI:78838
      An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (8R)-8-hydroxynonanoic acid with ascarylopyranose (the alpha anomer). A metabolite of the n ematode Caenorhabditis elegans, it is the direct biosynthetic precursor to ascr#3. It has also been detected in the sour paste nematode, Panagrellus redivivus. ChEBI CHEBI:78838
      An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (8R)-8-hydroxynonanoic acid with ascarylopyranose ; (the alpha anomer). A metabolite of the nematode Caenorhabditis elegans, it is the direct biosynthetic precursor to ascr#3. It has also been detected in the sour paste ne; matode, Panagrellus redivivus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78838

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

Density: 1.2±0.1 g/cm3
Boiling Point: 497.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.2±6.0 kJ/mol
Flash Point: 178.9±22.2 °C
Index of Refraction: 1.504
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 25.23
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 262.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement