ChemSpider 2D Image | (2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl tetracosanoate | C42H82O5

(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl tetracosanoate

  • Molecular FormulaC42H82O5
  • Average mass667.097 Da
  • Monoisotopic mass666.616211 Da
  • ChemSpider ID24765926

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl tetracosanoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2S)-1-hydroxy-3-(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (1S)-2-hydroxy-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl tetracosanoate
1-Pentadecanoyl-2-lignoceroyl-sn-glycerol
DAG(15:0/24:0)
DAG(39:0)
DG(15:0/24:0)
DG(15:0/24:0/0:0)
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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: 692.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 186.8±15.8 °C
Index of Refraction: 1.467
Molar Refractivity: 201.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 18.06
ACD/LogD (pH 5.5): 16.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 726.7±3.0 cm3

Click to predict properties on the Chemicalize site


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