ChemSpider 2D Image | ascr#17 | C17H30O6

ascr#17

  • Molecular FormulaC17H30O6
  • Average mass330.417 Da
  • Monoisotopic mass330.204254 Da
  • ChemSpider ID31150625

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E,10R)-10-[(3,6-Dideoxy-α-L-arabino-hexopyranosyl)oxy]-2-undecenoic acid [ACD/IUPAC Name]
(2E,10R)-10-[(3,6-Didesoxy-α-L-arabino-hexopyranosyl)oxy]-2-undecensäure [German] [ACD/IUPAC Name]
2-Undecenoic acid, 10-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-, (2E,10R)- [ACD/Index Name]
Acide (2E,10R)-10-[(3,6-didésoxy-α-L-arabino-hexopyranosyl)oxy]-2-undécénoïque [French] [ACD/IUPAC Name]
ascr#17
(2E,10R)-10-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]undec-2-enoic acid
10R-(3,6-dideoxy-α-L-arabino-hexopyranosyloxy)-2E-undecenoic acid
10R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-undecenoic acid
1186217-53-7 [RN]
  • Miscellaneous

    • Chemical Class:

      An (<locant>omega</locant><minus/>1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2<stereo>E</stereo>,10<stereo>R</stereo>)-10-hydroxyundec-2-enoic acid with ascarylopyranose (the <stereo>alpha</stereo> anomer). It is a metabolite of the nematode <ital>Caenorhabditis elegans</ital>. ChEBI CHEBI:78952
      An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,10R)-10-hydroxyundec-2-enoic ; acid with ascarylopyranose (the alpha anomer). It is a m etabolite of the nematode Caenorhabditis elegans. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78952
      An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,10R)-10-hydroxyundec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a met abolite of the nematode Caenorhabditis elegans. ChEBI CHEBI:78952

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.7±6.0 kJ/mol
Flash Point: 187.0±23.6 °C
Index of Refraction: 1.515
Molar Refractivity: 86.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 3.45
ACD/KOC (pH 5.5): 50.35
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 287.8±5.0 cm3

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