ChemSpider 2D Image | Methyl (4Z,7E,10E,13E,16E,19E)-4,7,10,13,16,19-docosahexaenoate | C23H34O2

Methyl (4Z,7E,10E,13E,16E,19E)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC23H34O2
  • Average mass342.515 Da
  • Monoisotopic mass342.255890 Da
  • ChemSpider ID26324044
  • Double-bond stereo - Double-bond stereo


More details:






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

(4Z,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaénoate de méthyle [French] [ACD/IUPAC Name]
301-01-9 [RN]
4,7,10,13,16,19-Docosahexaenoic acid, methyl ester, (4Z,7E,10E,13E,16E,19E)- [ACD/Index Name]
Methyl (4Z,7E,10E,13E,16E,19E)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
Methyl-(4Z,7E,10E,13E,16E,19E)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
[28061-46-3]
28061-46-3 [RN]
CIS-4,7,10,13,16,19-DOCOSAHEXAENOIC ACID METHYL ESTER
CIS-4,7,10,13,16,19-DOCOSAHEXAENOICACIDMETHYLESTER
METHYL DOCOSAHEXAENOATE (4c,7c,10c,13c,16c,19c)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 429.9±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 103.9±21.2 °C
Index of Refraction: 1.505
Molar Refractivity: 110.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 65142.33
ACD/KOC (pH 5.5): 97127.96
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 65142.33
ACD/KOC (pH 7.4): 97127.96
Polar Surface Area: 26 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 373.4±3.0 cm3

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