ChemSpider 2D Image | (2S)-3-Hydroxy-1,2-propanediyl bis(17-methyloctadecanoate) | C41H80O5

(2S)-3-Hydroxy-1,2-propanediyl bis(17-methyloctadecanoate)

  • Molecular FormulaC41H80O5
  • Average mass653.071 Da
  • Monoisotopic mass652.600586 Da
  • ChemSpider ID74858521

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Hydroxy-1,2-propandiyl-bis(17-methyloctadecanoat) [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propanediyl bis(17-methyloctadecanoate) [ACD/IUPAC Name]
Bis(17-méthyloctadécanoate) de (2S)-3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
Octadecanoic acid, 17-methyl-, (1S)-2-hydroxy-1-[[(17-methyl-1-oxooctadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-hydroxy-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 17-methyloctadecanoate
DG(i-19:0/i-19:0/0:0)

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: 676.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 183.1±15.8 °C
Index of Refraction: 1.466
Molar Refractivity: 197.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 17.16
ACD/LogD (pH 5.5): 14.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 710.9±3.0 cm3

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