ChemSpider 2D Image | icas#18 | C26H37NO7

icas#18

  • Molecular FormulaC26H37NO7
  • Average mass475.574 Da
  • Monoisotopic mass475.256989 Da
  • ChemSpider ID31150683

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(10R)-10-{[3,6-Dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}undecanoic acid [ACD/IUPAC Name]
(10R)-10-{[3,6-Didesoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}undecansäure [German] [ACD/IUPAC Name]
1355683-05-4 [RN]
Acide (10R)-10-{[3,6-didésoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}undécanoïque [French] [ACD/IUPAC Name]
icas#18
Undecanoic acid, 10-[[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy]-, (10R)- [ACD/Index Name]
10R-((1H-indol-3-ylcarbonyl)3,6-dideoxy-α-L-arabino- hexopyranosyloxy)-undecanoic acid
10R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)- tetrahydropyran-2'-yloxy)-undecanoic acid
10R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-undecanoic acid
  • Miscellaneous

    • Chemical Class:

      A 4-<element>O</element>-(1<element>H</element>-indol-3-ylcarbonyl)ascaroside derived from (10<stereo>R</stereo>)-10-hydroxyundecanoic acid. It is a metabolite of the nematode <ital>Caenorhabditis ele gans</ital>. ChEBI CHEBI:79105
      A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (10R)-10-hydroxyundecanoic acid. It is a metabolite of the nematode Caenorhabditis ele; gans. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79105
      A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (10R)-10-hydroxyundecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. ChEBI CHEBI:79105

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.4±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 468.67
ACD/KOC (pH 5.5): 1686.28
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 7.52
ACD/KOC (pH 7.4): 27.05
Polar Surface Area: 118 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 387.6±5.0 cm3

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