ChemSpider 2D Image | 1-Hydroxy-3-[(9Z)-9-octadecenoyloxy](~2~H_5_)-2-propanyl (9Z,12Z)-9,12-octadecadienoate | C39H65D5O5

1-Hydroxy-3-[(9Z)-9-octadecenoyloxy](2H5)-2-propanyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC39H65D5O5
  • Average mass624.001 Da
  • Monoisotopic mass623.553711 Da
  • ChemSpider ID107433877

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(9Z,12Z)-9,12-Octadécadiénoate de 1-hydroxy-3-[(9Z)-9-octadecenoyloxy](2H5)-2-propanyle [French] [ACD/IUPAC Name]
1-Hydroxy-3-[(9Z)-9-octadecenoyloxy](2H5)-2-propanyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
1-Hydroxy-3-[(9Z)-9-octadecenoyloxy](2H5)-2-propanyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 2-hydroxy-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl-d2]ethyl-1,2,2-d3 ester, (9Z,12Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 670.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 186.7±22.2 °C
Index of Refraction: 1.483
Molar Refractivity: 187.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 14.91
ACD/LogD (pH 5.5): 13.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.07
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: 35.8±3.0 dyne/cm
Molar Volume: 658.0±3.0 cm3

Click to predict properties on the Chemicalize site


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