ChemSpider 2D Image | 1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl (15Z)-15-tetracosenoate | C61H116O6

1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl (15Z)-15-tetracosenoate

  • Molecular FormulaC61H116O6
  • Average mass945.570 Da
  • Monoisotopic mass944.877197 Da
  • ChemSpider ID59653661

  • 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

(15Z)-15-Tétracosénoate de 1-(palmitoyloxy)-3-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
1-(Palmitoyloxy)-3-(stearoyloxy)-2-propanyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (15Z)- [ACD/Index Name]
(2S)-1-(hexadecanoyloxy)-3-(octadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate
1-Hexadecanoyl-2-(15Z-tetracosanoyl)-3-octadecanoyl-glycerol
1-Palmitoyl-2-nervonoyl-3-stearoyl-glycerol
TAG(16:0/24:1/18:0)
TAG(58:1)
TG(16:0/24:1(15Z)/18:0)
More...

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: 846.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 307.4±25.2 °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): 25.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 25.26
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

Click to predict properties on the Chemicalize site


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