ChemSpider 2D Image | Methyl (5R,6S,7E,9E,11Z,14Z)-5-chloro-6-hydroxy-7,9,11,14-icosatetraenoate | C21H33ClO3

Methyl (5R,6S,7E,9E,11Z,14Z)-5-chloro-6-hydroxy-7,9,11,14-icosatetraenoate

  • Molecular FormulaC21H33ClO3
  • Average mass368.938 Da
  • Monoisotopic mass368.211823 Da
  • ChemSpider ID73973699

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5R,6S,7E,9E,11Z,14Z)-5-Chloro-6-hydroxy-7,9,11,14-icosatétraénoate de méthyle [French] [ACD/IUPAC Name]
7,9,11,14-Eicosatetraenoic acid, 5-chloro-6-hydroxy-, methyl ester, (5R,6S,7E,9E,11Z,14Z)- [ACD/Index Name]
Methyl (5R,6S,7E,9E,11Z,14Z)-5-chloro-6-hydroxy-7,9,11,14-icosatetraenoate [ACD/IUPAC Name]
Methyl-(5R,6S,7E,9E,11Z,14Z)-5-chlor-6-hydroxy-7,9,11,14-icosatetraenoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 489.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.0±6.0 kJ/mol
Flash Point: 249.6±28.7 °C
Index of Refraction: 1.505
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21908.32
ACD/KOC (pH 5.5): 44523.97
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21908.25
ACD/KOC (pH 7.4): 44523.82
Polar Surface Area: 47 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 362.8±3.0 cm3

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