ChemSpider 2D Image | 2-(Stearoyloxy)-1,3-propanediyl (5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoate) | C61H106O6

2-(Stearoyloxy)-1,3-propanediyl (5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoate)

  • Molecular FormulaC61H106O6
  • Average mass935.491 Da
  • Monoisotopic mass934.798950 Da
  • ChemSpider ID30777986

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,11Z,5'Z,8'Z,11'Z)Bis(-5,8,11-icosatriénoate) de 2-(stearoyloxy)-1,3-propanediyle [French] [ACD/IUPAC Name]
2-(Stearoyloxy)-1,3-propandiyl-(5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoat) [German] [ACD/IUPAC Name]
2-(Stearoyloxy)-1,3-propanediyl (5Z,8Z,11Z,5'Z,8'Z,11'Z)bis(-5,8,11-icosatrienoate) [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, 2-[(1-oxooctadecyl)oxy]-1,3-propanediyl ester, (5Z,8Z,11Z,5'Z,8'Z,11'Z)- [ACD/Index Name]
1-(5Z,8Z,11Z-Eicosatrienoyl)-2-octadecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol
1-Meadoyl-2-stearoyl-3-meadoyl-glycerol
3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(octadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
TAG(20:3/18:0/20:3)
TAG(58:6)
TG(20:3(5Z,8Z,11Z)/18:0/20:3(5Z,8Z,11Z))
More...

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 850.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 311.0±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 290.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 24.20
ACD/LogD (pH 5.5): 22.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.1±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 1008.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement