ChemSpider 2D Image | 2-[(9E)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl (9E,12E)-9,12-octadecadienoate | C57H104O6

2-[(9E)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl (9E,12E)-9,12-octadecadienoate

  • Molecular FormulaC57H104O6
  • Average mass885.432 Da
  • Monoisotopic mass884.783264 Da
  • ChemSpider ID14664578

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,12E)-9,12-Octadécadiénoate de 2-[(9E)-9-octadecenoyloxy]-3-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
2-[(9E)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl (9E,12E)-9,12-octadecadienoate [ACD/IUPAC Name]
2-[(9E)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl-(9E,12E)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 2-[[(9E)-1-oxo-9-octadecen-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propyl ester, (9E,12E)- [ACD/Index Name]
1-(cis,cis-9,12-Octadecadienoyl)-2-(cis-9-octadecenoyl)-3-octadecanoyl-rac-glycerol
135092-48-7 [RN]
1-Linoleoyl-2-oleoyl-3-stearoyl-rac-glycerol

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

L1025_SIGMA [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 818.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 302.7±31.5 °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): 21.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.87
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

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