ChemSpider 2D Image | 2-[(9Z)-9-Hexadecenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl docosanoate | C55H102O6

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

  • Molecular FormulaC55H102O6
  • Average mass859.395 Da
  • Monoisotopic mass858.767639 Da
  • ChemSpider ID30779218

  • 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-[(9Z)-9-Hexadecenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl docosanoate [ACD/IUPAC Name]
2-[(9Z)-9-Hexadecenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 2-[(9Z)-9-hexadecenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-3-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl docosanoate
1-(9Z-tetradecenoyl)-2-(9Z-hexadecenoyl)-3-docosanoyl-sn-glycerol
1-Behenoyl-2-palmitoleoyl-3-myristoleoyl-glycerol
1-Docosanoyl-2-(9Z-hexadecenoyl)-3-(9Z-tetradecenoyl)-glycerol
1-myristoleoyl-2-palmitoleoyl-3-behenoyl-glycerol
TAG(14:1/16:1/22:0)
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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: 802.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 298.4±28.8 °C
Index of Refraction: 1.473
Molar Refractivity: 262.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.17
ACD/LogD (pH 5.5): 21.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 934.5±3.0 cm3

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