Found 1 result

Search term: 74873882 (Found by CSID)
ChemSpider 2D Image | 3-[(12-Methyltetradecanoyl)oxy]-2-(tetradecanoyloxy)propyl nonadecanoate | C51H98O6

3-[(12-Methyltetradecanoyl)oxy]-2-(tetradecanoyloxy)propyl nonadecanoate

  • Molecular FormulaC51H98O6
  • Average mass807.320 Da
  • Monoisotopic mass806.736328 Da
  • ChemSpider ID74873882

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-[(12-Methyltetradecanoyl)oxy]-2-(tetradecanoyloxy)propyl nonadecanoate [ACD/IUPAC Name]
3-[(12-Methyltetradecanoyl)oxy]-2-(tetradecanoyloxy)propyl-nonadecanoat [German] [ACD/IUPAC Name]
Nonadécanoate de 3-[(12-méthyltetradecanoyl)oxy]-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
Nonadecanoic acid, 3-[(12-methyl-1-oxotetradecyl)oxy]-2-[(1-oxotetradecyl)oxy]propyl ester [ACD/Index Name]
(2S)-3-[(12-methyltetradecanoyl)oxy]-2-(tetradecanoyloxy)propyl nonadecanoate
TG(19:0/14:0/a-15:0)[rac]

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: 757.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 285.1±23.8 °C
Index of Refraction: 1.465
Molar Refractivity: 243.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.90
ACD/LogD (pH 5.5): 20.09
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.09
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 96.6±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 881.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement