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Search term: 59667367 (Found by CSID)
ChemSpider 2D Image | 3-[(12-Methyltetradecanoyl)oxy]-2-(octanoyloxy)propyl 18-methylicosanoate | C47H90O6

3-[(12-Methyltetradecanoyl)oxy]-2-(octanoyloxy)propyl 18-methylicosanoate

  • Molecular FormulaC47H90O6
  • Average mass751.214 Da
  • Monoisotopic mass750.673767 Da
  • ChemSpider ID59667367

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

18-Méthylicosanoate de 3-[(12-méthyltetradecanoyl)oxy]-2-(octanoyloxy)propyle [French] [ACD/IUPAC Name]
3-[(12-Methyltetradecanoyl)oxy]-2-(octanoyloxy)propyl 18-methylicosanoate [ACD/IUPAC Name]
3-[(12-Methyltetradecanoyl)oxy]-2-(octanoyloxy)propyl-18-methylicosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 18-methyl-, 3-[(12-methyl-1-oxotetradecyl)oxy]-2-[(1-oxooctyl)oxy]propyl ester [ACD/Index Name]
(2S)-3-[(12-methyltetradecanoyl)oxy]-2-(octanoyloxy)propyl 18-methylicosanoate
TG(a-21:0/8:0/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: 717.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 274.2±23.8 °C
Index of Refraction: 1.464
Molar Refractivity: 225.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 19.59
ACD/LogD (pH 5.5): 17.09
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.09
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 815.9±3.0 cm3

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