ChemSpider 2D Image | (4Z,7S,8E,10E,12E,14S,16Z,19Z)-7,14-Dihydroxy-4,8,10,12,16,19-docosahexaenoic acid | C22H32O4

(4Z,7S,8E,10E,12E,14S,16Z,19Z)-7,14-Dihydroxy-4,8,10,12,16,19-docosahexaenoic acid

  • Molecular FormulaC22H32O4
  • Average mass360.487 Da
  • Monoisotopic mass360.230072 Da
  • ChemSpider ID24841885
  • 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

(4Z,7S,8E,10E,12E,14S,16Z,19Z)-7,14-Dihydroxy-4,8,10,12,16,19-docosahexaenoic acid [ACD/IUPAC Name]
(4Z,7S,8E,10E,12E,14S,16Z,19Z)-7,14-Dihydroxy-4,8,10,12,16,19-docosahexaensäure [German] [ACD/IUPAC Name]
4,8,10,12,16,19-Docosahexaenoic acid, 7,14-dihydroxy-, (4Z,7S,8E,10E,12E,14S,16Z,19Z)- [ACD/Index Name]
Acide (4Z,7S,8E,10E,12E,14S,16Z,19Z)-7,14-dihydroxy-4,8,10,12,16,19-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: 559.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.7±6.0 kJ/mol
Flash Point: 306.2±26.6 °C
Index of Refraction: 1.546
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 32.24
ACD/KOC (pH 5.5): 220.76
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.47
Polar Surface Area: 78 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 343.8±3.0 cm3

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