ChemSpider 2D Image | (2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate | C39H66O5

(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC39H66O5
  • Average mass614.938 Da
  • Monoisotopic mass614.491028 Da
  • ChemSpider ID59697239

  • 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

(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl-(7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaénoate de (2S)-1-hydroxy-3-(tetradecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (1S)-2-hydroxy-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester, (7E,10E,13E,16E,19E)- [ACD/Index Name]
(2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosa-7,10,13,16,19-pentaenoate
DG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 668.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±6.0 kJ/mol
Flash Point: 187.6±25.0 °C
Index of Refraction: 1.495
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.39
ACD/LogD (pH 5.5): 12.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 645.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement