ChemSpider 2D Image | 3-(Dodecanoyloxy)-2-(tridecanoyloxy)propyl (9Z,12Z)-9,12-heptadecadienoate | C45H82O6

3-(Dodecanoyloxy)-2-(tridecanoyloxy)propyl (9Z,12Z)-9,12-heptadecadienoate

  • Molecular FormulaC45H82O6
  • Average mass719.129 Da
  • Monoisotopic mass718.611145 Da
  • ChemSpider ID113371836

  • 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

(9Z,12Z)-9,12-Heptadécadiénoate de 3-(dodecanoyloxy)-2-(tridecanoyloxy)propyle [French] [ACD/IUPAC Name]
3-(Dodecanoyloxy)-2-(tridecanoyloxy)propyl (9Z,12Z)-9,12-heptadecadienoate [ACD/IUPAC Name]
3-(Dodecanoyloxy)-2-(tridecanoyloxy)propyl-(9Z,12Z)-9,12-heptadecadienoat [German] [ACD/IUPAC Name]
9,12-Heptadecadienoic acid, 3-[(1-oxododecyl)oxy]-2-[(1-oxotridecyl)oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
1-dodecanoyl-2-tridecanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
TG(12:0/13:0/17:2(9Z,12Z))[iso6]
TG(12:013:017:2)
TG(42:2)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 710.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 274.5±27.4 °C
Index of Refraction: 1.473
Molar Refractivity: 215.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 17.85
ACD/LogD (pH 5.5): 16.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 769.4±3.0 cm3

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