ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(15-methylhexadecanoyl)oxy]propyl icosanoate | C40H78O5

(2S)-3-Hydroxy-2-[(15-methylhexadecanoyl)oxy]propyl icosanoate

  • Molecular FormulaC40H78O5
  • Average mass639.044 Da
  • Monoisotopic mass638.584900 Da
  • ChemSpider ID74858569

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Hydroxy-2-[(15-methylhexadecanoyl)oxy]propyl icosanoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(15-methylhexadecanoyl)oxy]propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (2S)-3-hydroxy-2-[(15-methyl-1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]
Icosanoate de (2S)-3-hydroxy-2-[(15-méthylhexadecanoyl)oxy]propyle [French] [ACD/IUPAC Name]
DG(20:0/i-17:0/0:0)

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: 669.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 182.4±15.8 °C
Index of Refraction: 1.466
Molar Refractivity: 192.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.82
ACD/LogD (pH 5.5): 14.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 694.0±3.0 cm3

Click to predict properties on the Chemicalize site


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