ChemSpider 2D Image | 1-oleoyl-2-stearoyl-sn-glycerol | C39H74O5

1-oleoyl-2-stearoyl-sn-glycerol

  • Molecular FormulaC39H74O5
  • Average mass623.002 Da
  • Monoisotopic mass622.553650 Da
  • ChemSpider ID24765995

  • 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-(stearoyloxy)propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(stearoyloxy)propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2S)-3-hydroxy-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
1-oleoyl-2-stearoyl-sn-glycerol
9-Octadecenoic acid, (2S)-3-hydroxy-2-[(1-oxooctadecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
(2S)-3-hydroxy-2-(octadecanoyloxy)propyl (9Z)-octadec-9-enoate
1-(9Z)-octadecenoyl-2-octadecanoyl-sn-glycerol
1-(9Z-octadecenoyl)-2-octadecanoyl-sn-glycerol
DAG(18:1/18:0)
DAG(18:1n9/18:0)
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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: 668.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 184.7±16.7 °C
Index of Refraction: 1.472
Molar Refractivity: 187.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.95
ACD/LogD (pH 5.5): 14.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 670.8±3.0 cm3

Click to predict properties on the Chemicalize site


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