ChemSpider 2D Image | Delta(7)-dafachronic acid | C27H42O3

δ(7)-dafachronic acid

  • Molecular FormulaC27H42O3
  • Average mass414.621 Da
  • Monoisotopic mass414.313385 Da
  • ChemSpider ID31150586
  • defined stereocentres - 7 of 8 defined stereocentres


More details:






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

(5α)-3-Oxocholest-7-en-26-oic acid [ACD/IUPAC Name]
(5α)-3-Oxocholest-7-en-26-säure [German] [ACD/IUPAC Name]
Acide (5α)-3-oxocholest-7-én-26-oïque [French] [ACD/IUPAC Name]
Cholest-7-en-26-oic acid, 3-oxo-, (5α)- [ACD/Index Name]
δ(7)-dafachronic acid
  • Miscellaneous
    • Chemical Class:

      A member of the class of dafachronic acids that is (5<stereo>alpha</stereo>)-3-oxocholest-7-ene in which the methyl group at position 26 has been oxidised to the correponding carboxylic acid. Found in <ital>Caenorhabditis elegans</ital>. ChEBI CHEBI:78699

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 548.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 299.6±26.6 °C
Index of Refraction: 1.538
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 6293.42
ACD/KOC (pH 5.5): 11000.53
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 101.61
ACD/KOC (pH 7.4): 177.60
Polar Surface Area: 54 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 384.5±5.0 cm3

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