ChemSpider 2D Image | (2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl docosanoate | C40H78O5

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

  • Molecular FormulaC40H78O5
  • Average mass639.044 Da
  • Monoisotopic mass638.584900 Da
  • ChemSpider ID24765919
  • 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 docosanoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2S)-1-hydroxy-3-(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1S)-2-hydroxy-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl docosanoate
1-Pentadecanoyl-2-behenoyl-sn-glycerol
DAG(15:0/22:0)
DAG(37:0)
DG(15:0/22:0)
DG(15:0/22:0/0:0)
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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

Density: 0.9±0.1 g/cm3
Boiling Point: 672.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 183.5±15.8 °C
Index of Refraction: 1.467
Molar Refractivity: 192.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 17.00
ACD/LogD (pH 5.5): 15.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.65
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: 35.0±3.0 dyne/cm
Molar Volume: 693.7±3.0 cm3

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