ChemSpider 2D Image | (5E,7E,9E,11E,13E,15E,17E,19Z,21E,23E)-3-Hydroxy-24-methyl-25-oxo-5,7,9,11,13,15,17,19,21,23-hexacosadecaenoic acid | C27H32O4

(5E,7E,9E,11E,13E,15E,17E,19Z,21E,23E)-3-Hydroxy-24-methyl-25-oxo-5,7,9,11,13,15,17,19,21,23-hexacosadecaenoic acid

  • Molecular FormulaC27H32O4
  • Average mass420.541 Da
  • Monoisotopic mass420.230072 Da
  • ChemSpider ID78434887

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E,7E,9E,11E,13E,15E,17E,19Z,21E,23E)-3-Hydroxy-24-methyl-25-oxo-5,7,9,11,13,15,17,19,21,23-hexacosadecaenoic acid [ACD/IUPAC Name]
(5E,7E,9E,11E,13E,15E,17E,19Z,21E,23E)-3-Hydroxy-24-methyl-25-oxo-5,7,9,11,13,15,17,19,21,23-hexacosadecaensäure [German] [ACD/IUPAC Name]
5,7,9,11,13,15,17,19,21,23-Hexacosadecaenoic acid, 3-hydroxy-24-methyl-25-oxo-, (5E,7E,9E,11E,13E,15E,17E,19Z,21E,23E)- [ACD/Index Name]
Acide (5E,7E,9E,11E,13E,15E,17E,19Z,21E,23E)-3-hydroxy-24-méthyl-25-oxo-5,7,9,11,13,15,17,19,21,23-hexacosadécaénoïque [French] [ACD/IUPAC Name]
3-Hydroxy-24-methyl-25-oxo-5E,7E,9E,11E,13E,15E,17E,19Z,21E,23E-hexacosadecaenoic acid
7-trans-Laetiporic acid
7-trans-Laetiporic acid A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 679.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 378.5±23.8 °C
Index of Refraction: 1.567
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 56.45
ACD/KOC (pH 5.5): 268.13
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.47
Polar Surface Area: 75 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 399.8±3.0 cm3

Click to predict properties on the Chemicalize site


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