ChemSpider 2D Image | icas#9 | C20H25NO7

icas#9

  • Molecular FormulaC20H25NO7
  • Average mass391.415 Da
  • Monoisotopic mass391.163116 Da
  • ChemSpider ID31150666

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R)-4-{[3,6-Dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}pentanoic acid [ACD/IUPAC Name]
(4R)-4-{[3,6-Didesoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}pentansäure [German] [ACD/IUPAC Name]
1173933-40-8 [RN]
Acide (4R)-4-{[3,6-didésoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}pentanoïque [French] [ACD/IUPAC Name]
icas#9
Pentanoic acid, 4-[[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy]-, (4R)- [ACD/Index Name]
(4R)-4-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}valeric acid
4R-((1H-indol-3-ylcarbonyl)3,6-dideoxy-α-L-arabino- hexopyranosyloxy)-pentanoic acid
4R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-pentanoic acid
indolecarboxylascaroside C5
  • Miscellaneous

    • Chemical Class:

      A 4-<element>O</element>-(1<element>H</element>-indol-3-ylcarbonyl)ascaroside derived from (4<stereo>R</stereo>)-4-hydroxypentanoic acid. It is a metabolite of the nematode <ital>Caenorhabditis elegan s</ital>. ChEBI CHEBI:79028
      A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (4R)-4-hydroxypentanoic acid. It is a metabolite of the nematode Caenorhabditis elegan; s. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79028
      A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (4R)-4-hydroxypentanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. ChEBI CHEBI:79028

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

Density: 1.3±0.1 g/cm3
Boiling Point: 640.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.9±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 3.88
ACD/KOC (pH 5.5): 47.60
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 290.9±5.0 cm3

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