ChemSpider 2D Image | 2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl docosanoate | C57H106O6

2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl docosanoate

  • Molecular FormulaC57H106O6
  • Average mass887.448 Da
  • Monoisotopic mass886.798950 Da
  • ChemSpider ID7823238

  • 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

2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl docosanoate [ACD/IUPAC Name]
2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 2,3-bis[(9Z)-9-hexadecenoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2,3-bis[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl docosanoate
1,2-di-(9Z-hexadecenoyl)-3-docosanoyl-sn-glycerol
1-Behenoyl-2-palmitoleoyl-3-palmitoleoyl-glycerol
1-Docosanoyl-2-(9Z-hexadecenoyl)-3-(9Z-hexadecenoyl)-glycerol
1-palmitoleoyl-2-palmitoleoyl-3-behenoyl-glycerol
TAG(16:1/16:1/22:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL03010324 [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: 819.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 302.6±28.8 °C
Index of Refraction: 1.473
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 24.23
ACD/LogD (pH 5.5): 22.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.51
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: 34.6±3.0 dyne/cm
Molar Volume: 967.5±3.0 cm3

Click to predict properties on the Chemicalize site


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