ChemSpider 2D Image | (2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl (11Z)-11-octadecenoate | C36H68O5

(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl (11Z)-11-octadecenoate

  • Molecular FormulaC36H68O5
  • Average mass580.922 Da
  • Monoisotopic mass580.506653 Da
  • ChemSpider ID24765905

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11Z)-11-Octadécénoate de (2S)-1-hydroxy-3-(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (1S)-2-hydroxy-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate
1-Pentadecanoyl-2-vaccenoyl-sn-glycerol
DAG(15:0/18:1)
DAG(15:0/18:1n7)
DAG(15:0/18:1w7)
DAG(33:1)
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: 630.6±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.9±6.0 kJ/mol
Flash Point: 176.9±15.8 °C
Index of Refraction: 1.472
Molar Refractivity: 173.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.36
ACD/LogD (pH 5.5): 13.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 621.2±3.0 cm3

Click to predict properties on the Chemicalize site


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