ChemSpider 2D Image | 2,3-Bis(tridecanoyloxy)propyl icosanoate | C49H94O6

2,3-Bis(tridecanoyloxy)propyl icosanoate

  • Molecular FormulaC49H94O6
  • Average mass779.267 Da
  • Monoisotopic mass778.705017 Da
  • ChemSpider ID59665927

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,3-Bis(tridecanoyloxy)propyl icosanoate [ACD/IUPAC Name]
2,3-Bis(tridecanoyloxy)propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 2,3-bis[(1-oxotridecyl)oxy]propyl ester [ACD/Index Name]
Icosanoate de 2,3-bis(tridecanoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-2,3-bis(tridecanoyloxy)propyl icosanoate
1,2-ditridecanoyl-3-eicosanoyl-sn-glycerol
TG(13:0/13:0/20:0)[iso3]
TG(13:013:020:0)
TG(20:0/13:0/13:0)
TG(46:0)

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: 741.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 281.2±23.8 °C
Index of Refraction: 1.465
Molar Refractivity: 234.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 21.02
ACD/LogD (pH 5.5): 20.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 848.2±3.0 cm3

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