ChemSpider 2D Image | icas#16 | C25H35NO7

icas#16

  • Molecular FormulaC25H35NO7
  • Average mass461.548 Da
  • Monoisotopic mass461.241364 Da
  • ChemSpider ID31150678

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(9R)-9-{[3,6-Dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}decanoic acid [ACD/IUPAC Name]
(9R)-9-{[3,6-Didesoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}decansäure [German] [ACD/IUPAC Name]
1355683-01-0 [RN]
Acide (9R)-9-{[3,6-didésoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}décanoïque [French] [ACD/IUPAC Name]
Decanoic acid, 9-[[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy]-, (9R)- [ACD/Index Name]
icas#16
9R-((1H-indol-3-ylcarbonyl)3,6-dideoxy-α-L-arabino-hexopyranosyloxy)-decanoic acid
9R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)- tetrahydropyran-2'-yloxy)-decanoic acid
9R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-decanoic acid
  • Miscellaneous

    • Chemical Class:

      A 4-<element>O</element>-(1<element>H</element>-indol-3-ylcarbonyl)ascaroside derived from (9<stereo>R</stereo>)-9-hydroxydecanoic acid. It is a metabolite of the nematode <ital>Caenorhabditis elegans </ital>. ChEBI CHEBI:79094
      A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (9R)-9-hydroxydecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. ChEBI CHEBI:79094
      A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (9R)-9-hydroxydecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans; . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79094

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

Density: 1.2±0.1 g/cm3
Boiling Point: 667.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 232.09
ACD/KOC (pH 5.5): 1018.92
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 16.34
Polar Surface Area: 118 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 371.5±5.0 cm3

Click to predict properties on the Chemicalize site


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