ChemSpider 2D Image | (2S)-2-(Decanoyloxy)-3-hydroxypropyl 20-methylhenicosanoate | C35H68O5

(2S)-2-(Decanoyloxy)-3-hydroxypropyl 20-methylhenicosanoate

  • Molecular FormulaC35H68O5
  • Average mass568.911 Da
  • Monoisotopic mass568.506653 Da
  • ChemSpider ID74858684

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Decanoyloxy)-3-hydroxypropyl 20-methylhenicosanoate [ACD/IUPAC Name]
(2S)-2-(Decanoyloxy)-3-hydroxypropyl-20-methylhenicosanoat [German] [ACD/IUPAC Name]
20-Méthylhénicosanoate de (2S)-2-(decanoyloxy)-3-hydroxypropyle [French] [ACD/IUPAC Name]
Heneicosanoic acid, 20-methyl-, (2S)-3-hydroxy-2-[(1-oxodecyl)oxy]propyl ester [ACD/Index Name]
DG(i-22:0/10:0/0:0)

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: 617.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.0±6.0 kJ/mol
Flash Point: 173.5±15.8 °C
Index of Refraction: 1.465
Molar Refractivity: 169.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 14.16
ACD/LogD (pH 5.5): 12.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 611.5±3.0 cm3

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