ChemSpider 2D Image | 2-(Icosanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyl docosanoate | C59H112O6

2-(Icosanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyl docosanoate

  • Molecular FormulaC59H112O6
  • Average mass917.517 Da
  • Monoisotopic mass916.845886 Da
  • ChemSpider ID59655654

  • 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

2-(Icosanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyl docosanoate [ACD/IUPAC Name]
2-(Icosanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 2-(icosanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[(1-oxoeicosyl)oxy]-3-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-2-(icosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl docosanoate
1-(9Z-tetradecenoyl)-2-eicosanoyl-3-docosanoyl-sn-glycerol
1-Behenoyl-2-arachidonyl-3-myristoleoyl-glycerol
1-Docosanoyl-2-eicosanoyl-3-(9Z-tetradecenoyl)-glycerol
TAG(22:0/20:0/14:1)
TAG(56:1)
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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: 834.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 305.5±26.0 °C
Index of Refraction: 1.470
Molar Refractivity: 280.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 57
#Rule of 5 Violations: 2
ACD/LogP: 25.81
ACD/LogD (pH 5.5): 23.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.3±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 1006.9±3.0 cm3

Click to predict properties on the Chemicalize site


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