ChemSpider 2D Image | Methyl 3-{3-[(2Z,5Z,8Z,11Z,14Z)-2,5,8,11,14-heptadecapentaen-1-yl]-2-oxiranyl}propanoate | C23H34O3

Methyl 3-{3-[(2Z,5Z,8Z,11Z,14Z)-2,5,8,11,14-heptadecapentaen-1-yl]-2-oxiranyl}propanoate

  • Molecular FormulaC23H34O3
  • Average mass358.514 Da
  • Monoisotopic mass358.250793 Da
  • ChemSpider ID21467440

  • Double-bond stereo - Double-bond stereo

More details:

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

121818-29-9 [RN]
2-Oxiranepropanoic acid, 3-[(2Z,5Z,8Z,11Z,14Z)-2,5,8,11,14-heptadecapentaen-1-yl]-, methyl ester [ACD/Index Name]
3-{3-[(2Z,5Z,8Z,11Z,14Z)-2,5,8,11,14-Heptadécapentaén-1-yl]-2-oxiranyl}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{3-[(2Z,5Z,8Z,11Z,14Z)-2,5,8,11,14-heptadecapentaen-1-yl]-2-oxiranyl}propanoate [ACD/IUPAC Name]
Methyl-3-{3-[(2Z,5Z,8Z,11Z,14Z)-2,5,8,11,14-heptadecapentaen-1-yl]-2-oxiranyl}propanoat [German] [ACD/IUPAC Name]
[121818-29-9] [RN]
4(5)-EpDPE methyl ester
4,5-Epoxy docosahexaenoic acid methyl ester
4,5-epoxy-7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid, methyl ester
MFCD05865102

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

Density: 1.0±0.1 g/cm3
Boiling Point: 451.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 170.6±12.2 °C
Index of Refraction: 1.505
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22777.31
ACD/KOC (pH 5.5): 45781.08
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22777.31
ACD/KOC (pH 7.4): 45781.08
Polar Surface Area: 39 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 371.6±3.0 cm3

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