ChemSpider 2D Image | 2-Hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl docosanoate | C43H82O5

2-Hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl docosanoate

  • Molecular FormulaC43H82O5
  • Average mass679.108 Da
  • Monoisotopic mass678.616211 Da
  • ChemSpider ID35028194

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl docosanoate [ACD/IUPAC Name]
2-Hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 2-hydroxy-3-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester [ACD/Index Name]
1-Behenoyl-3-oleoyl-sn-glycerol
1-Docosanoyl-3-(9Z-octadecenoyl)-sn-glycerol
2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl docosanoate
DAG(22:0/0:0/18:1)
DAG(22:0/0:0/18:1n9)
DAG(22:0/0:0/18:1w9)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 714.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 193.6±18.1 °C
Index of Refraction: 1.472
Molar Refractivity: 206.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 18.07
ACD/LogD (pH 5.5): 16.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 736.8±3.0 cm3

Click to predict properties on the Chemicalize site


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