ChemSpider 2D Image | DG(14:0/22:0/0:0) | C39H76O5

DG(14:0/22:0/0:0)

  • Molecular FormulaC39H76O5
  • Average mass625.018 Da
  • Monoisotopic mass624.569275 Da
  • ChemSpider ID24765862

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl docosanoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
DG(14:0/22:0/0:0)
Docosanoate de (2S)-1-hydroxy-3-(tetradecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1S)-2-hydroxy-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate
1-Myristoyl-2-behenoyl-sn-glycerol
1-tetradecanoyl-2-docosanoyl-sn-glycerol
DAG(14:0/22:0)
DAG(36:0)
More...

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: 662.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 181.8±15.8 °C
Index of Refraction: 1.467
Molar Refractivity: 187.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.47
ACD/LogD (pH 5.5): 15.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 677.1±3.0 cm3

Click to predict properties on the Chemicalize site


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