ChemSpider 2D Image | 2-(Icosanoyloxy)-3-(palmitoyloxy)propyl henicosanoate | C60H116O6

2-(Icosanoyloxy)-3-(palmitoyloxy)propyl henicosanoate

  • Molecular FormulaC60H116O6
  • Average mass933.559 Da
  • Monoisotopic mass932.877197 Da
  • ChemSpider ID7823596

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(Icosanoyloxy)-3-(palmitoyloxy)propyl henicosanoate [ACD/IUPAC Name]
2-(Icosanoyloxy)-3-(palmitoyloxy)propyl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, 2-[(1-oxoeicosyl)oxy]-3-[(1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]
Hénicosanoate de 2-(icosanoyloxy)-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-(hexadecanoyloxy)-2-(icosanoyloxy)propyl henicosanoate
1-hexadecanoyl-2-eicosanoyl-3-heneicosanoyl-sn-glycerol
TG(16:0/20:0/21:0)[iso6]
TG(16:020:021:0)
TG(21:0/20:0/16:0)
TG(57:0)

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

LMGL03010684 [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: 838.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 305.4±25.2 °C
Index of Refraction: 1.466
Molar Refractivity: 285.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 2
ACD/LogP: 26.86
ACD/LogD (pH 5.5): 25.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 25.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 113.1±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 1029.8±3.0 cm3

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