ChemSpider 2D Image | 2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl docosanoate | C61H116O6

2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl docosanoate

  • Molecular FormulaC61H116O6
  • Average mass945.570 Da
  • Monoisotopic mass944.877197 Da
  • ChemSpider ID7823739

  • 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-Octadecenoyloxy]-3-(stearoyloxy)propyl docosanoate [ACD/IUPAC Name]
2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 2-[(9Z)-9-octadecenoyloxy]-3-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propyl ester [ACD/Index Name]
1-octadecanoyl-2-(9Z-octadecenoyl)-3-docosanoyl-sn-glycerol
TG(18:0/18:1(9Z)/22:0)[iso6]
TG(18:0/18:1/22:0)[iso6]
TG(18:018:122:0)
TG(58:1)

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

LMGL03010828 [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: 851.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 309.4±26.0 °C
Index of Refraction: 1.470
Molar Refractivity: 290.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 2
ACD/LogP: 26.87
ACD/LogD (pH 5.5): 25.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 25.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 1039.9±3.0 cm3

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