ChemSpider 2D Image | 2-Hydroxy-N-[(2R,3R,4E)-1-hydroxy-3,9-dimethyl-4-octadecen-2-yl]hexadecanamide | C36H71NO3

2-Hydroxy-N-[(2R,3R,4E)-1-hydroxy-3,9-dimethyl-4-octadecen-2-yl]hexadecanamide

  • Molecular FormulaC36H71NO3
  • Average mass565.954 Da
  • Monoisotopic mass565.543396 Da
  • ChemSpider ID8406995
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres


More details:






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

2-Hydroxy-N-[(2R,3R,4E)-1-hydroxy-3,9-dimethyl-4-octadecen-2-yl]hexadecanamid [German] [ACD/IUPAC Name]
2-Hydroxy-N-[(2R,3R,4E)-1-hydroxy-3,9-dimethyl-4-octadecen-2-yl]hexadecanamide [ACD/IUPAC Name]
2-Hydroxy-N-[(2R,3R,4E)-1-hydroxy-3,9-diméthyl-4-octadécén-2-yl]hexadécanamide [French] [ACD/IUPAC Name]
Hexadecanamide, 2-hydroxy-N-[(1R,2R,3E)-1-(hydroxymethyl)-2,8-dimethyl-3-heptadecen-1-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 683.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.6±6.0 kJ/mol
Flash Point: 366.9±31.5 °C
Index of Refraction: 1.479
Molar Refractivity: 175.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 13.85
ACD/LogD (pH 5.5): 12.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 618.8±3.0 cm3

Click to predict properties on the Chemicalize site






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