ChemSpider 2D Image | 2-(Stearoyloxy)-1,3-propanediyl (9E,12E,9'E,12'E)bis(-9,12-octadecadienoate) | C57H102O6

2-(Stearoyloxy)-1,3-propanediyl (9E,12E,9'E,12'E)bis(-9,12-octadecadienoate)

  • Molecular FormulaC57H102O6
  • Average mass883.416 Da
  • Monoisotopic mass882.767639 Da
  • ChemSpider ID30776884

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,12E,9'E,12'E)Bis(-9,12-octadécadiénoate) de 2-(stearoyloxy)-1,3-propanediyle [French] [ACD/IUPAC Name]
2-(Stearoyloxy)-1,3-propandiyl-(9E,12E,9'E,12'E)bis(-9,12-octadecadienoat) [German] [ACD/IUPAC Name]
2-(Stearoyloxy)-1,3-propanediyl (9E,12E,9'E,12'E)bis(-9,12-octadecadienoate) [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 2-[(1-oxooctadecyl)oxy]-1,3-propanediyl ester, (9E,12E,9'E,12'E)- [ACD/Index Name]
2190-18-3 [RN]
3-[(9E,12E)-octadeca-9,12-dienoyloxy]-2-(octadecanoyloxy)propyl (9E,12E)-octadeca-9,12-dienoate
9,12-Octadecadienoic acid 2-[(1-oxooctadecyl)oxy]-1,3-propanediyl ester
a,a'-Dilinoleostearin
Glycerol 1,3-di-(9Z,12Z-octadecadienoate) 2-octadecanoate

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: 818.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 302.8±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.19
ACD/LogD (pH 5.5): 21.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.39
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: 34.9±3.0 dyne/cm
Molar Volume: 954.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement