ChemSpider 2D Image | DG(18:0/14:1(9Z)/0:0) | C35H66O5

DG(18:0/14:1(9Z)/0:0)

  • Molecular FormulaC35H66O5
  • Average mass566.896 Da
  • Monoisotopic mass566.491028 Da
  • ChemSpider ID24765951

  • 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

(2S)-3-Hydroxy-2-[(9Z)-9-tetradecenoyloxy]propyl stearate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(9Z)-9-tetradecenoyloxy]propylstearat [German] [ACD/IUPAC Name]
DG(18:0/14:1(9Z)/0:0)
Octadecanoic acid, (2S)-3-hydroxy-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester [ACD/Index Name]
Stéarate de (2S)-3-hydroxy-2-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-3-hydroxy-2-[(9Z)-tetradec-9-enoyloxy]propyl octadecanoate
1-Stearoyl-2-myristoleoyl-sn-glycerol
DAG(18:0/14:1)
DAG(18:0/14:1n5)
DAG(18:0/14:1w5)
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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: 627.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 177.8±16.7 °C
Index of Refraction: 1.472
Molar Refractivity: 169.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.82
ACD/LogD (pH 5.5): 12.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 604.7±3.0 cm3

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