ChemSpider 2D Image | 2,3-Bis(stearoyloxy)propyl (9Z)-9-octadecenoate | C57H108O6

2,3-Bis(stearoyloxy)propyl (9Z)-9-octadecenoate

  • Molecular FormulaC57H108O6
  • Average mass889.464 Da
  • Monoisotopic mass888.814575 Da
  • ChemSpider ID48063120

  • 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

(9Z)-9-Octadécénoate de 2,3-bis(stearoyloxy)propyle [French] [ACD/IUPAC Name]
2,3-Bis(stearoyloxy)propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
2,3-Bis(stearoyloxy)propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2,3-bis[(1-oxooctadecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
(2S)-2,3-bis(octadecanoyloxy)propyl (9Z)-octadec-9-enoate
[(2S)-2-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate
1-Stearoyl-2-stearoyl-3-oleoyl-glycerol
56614-46-1 [RN]
TAG(18:0/18:0/18:1)
TAG(18:0/18:0/18:1n9)
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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: 817.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 301.5±26.0 °C
Index of Refraction: 1.470
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.75
ACD/LogD (pH 5.5): 23.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 973.9±3.0 cm3

Click to predict properties on the Chemicalize site


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