ChemSpider 2D Image | (4E,7E,10E,13E,15E,17R,19E)-17-Hydroxy-4,7,10,13,15,19-docosahexaenoic acid | C22H32O3

(4E,7E,10E,13E,15E,17R,19E)-17-Hydroxy-4,7,10,13,15,19-docosahexaenoic acid

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID95602048
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4E,7E,10E,13E,15E,17R,19E)-17-Hydroxy-4,7,10,13,15,19-docosahexaenoic acid [ACD/IUPAC Name]
(4E,7E,10E,13E,15E,17R,19E)-17-Hydroxy-4,7,10,13,15,19-docosahexaensäure [German] [ACD/IUPAC Name]
4,7,10,13,15,19-Docosahexaenoic acid, 17-hydroxy-, (4E,7E,10E,13E,15E,17R,19E)- [ACD/Index Name]
Acide (4E,7E,10E,13E,15E,17R,19E)-17-hydroxy-4,7,10,13,15,19-docosahexaénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 505.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 273.4±26.6 °C
Index of Refraction: 1.533
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 456.25
ACD/KOC (pH 5.5): 1478.96
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 7.17
ACD/KOC (pH 7.4): 23.24
Polar Surface Area: 58 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 345.9±3.0 cm3

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