ChemSpider 2D Image | 1,2,3-Propanetriyl (11Z,11'Z,11''Z)tris(-11-octadecenoate) | C57H104O6

1,2,3-Propanetriyl (11Z,11'Z,11''Z)tris(-11-octadecenoate)

  • Molecular FormulaC57H104O6
  • Average mass885.432 Da
  • Monoisotopic mass884.783264 Da
  • ChemSpider ID30777909

  • Double-bond stereo - Double-bond stereo

More details:

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

(11Z,11'Z,11''Z)Tris(-11-octadécénoate) de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
1,2,3-Propanetriyl (11Z,11'Z,11''Z)tris(-11-octadecenoate) [ACD/IUPAC Name]
1,2,3-Propantriyl-(11Z,11'Z,11''Z)tris(-11-octadecenoat) [German] [ACD/IUPAC Name]
11-Octadecenoic acid, 1,2,3-propanetriyl ester, (11Z,11'Z,11''Z)- [ACD/Index Name]
1-(11Z-Octadecenoyl)-2-(11Z-octadecenoyl)-3-(11Z-octadecenoyl)-glycerol
1,3-bis[(11Z)-octadec-11-enoyloxy]propan-2-yl (11Z)-octadec-11-enoate
11 CIS-TRIOCTADECENOIN
1-Vaccenoyl-2-vaccenoyl-3-vaccenoyl-glycerol
TAG(18:1/18:1/18:1)
TAG(54:3)
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: 810.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 299.6±25.2 °C
Index of Refraction: 1.477
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.71
ACD/LogD (pH 5.5): 20.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 961.1±3.0 cm3

Click to predict properties on the Chemicalize site


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