ChemSpider 2D Image | (4Z,7Z,10Z,13Z,16E,18E,20S)-20-Hydroxy-4,7,10,13,16,18-docosahexaenoic acid | C22H32O3

(4Z,7Z,10Z,13Z,16E,18E,20S)-20-Hydroxy-4,7,10,13,16,18-docosahexaenoic acid

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID35467269

  • 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

(4Z,7Z,10Z,13Z,16E,18E,20S)-20-Hydroxy-4,7,10,13,16,18-docosahexaenoic acid [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16E,18E,20S)-20-Hydroxy-4,7,10,13,16,18-docosahexaensäure [German] [ACD/IUPAC Name]
4,7,10,13,16,18-Docosahexaenoic acid, 20-hydroxy-, (4Z,7Z,10Z,13Z,16E,18E,20S)- [ACD/Index Name]
Acide (4Z,7Z,10Z,13Z,16E,18E,20S)-20-hydroxy-4,7,10,13,16,18-docosahexaénoïque [French] [ACD/IUPAC Name]
(±)20-HDoHE
90906-41-5 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 500.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 270.4±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: 5.09
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 370.49
ACD/KOC (pH 5.5): 1274.27
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 5.82
ACD/KOC (pH 7.4): 20.02
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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