ChemSpider 2D Image | N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]hexadecanamide | C34H69NO4

N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]hexadecanamide

  • Molecular FormulaC34H69NO4
  • Average mass555.916 Da
  • Monoisotopic mass555.522644 Da
  • ChemSpider ID24765759

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Hexadecanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]hexadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]hexadecanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadécanyl]hexadécanamide [French] [ACD/IUPAC Name]
Cer(t18:0/16:0)
Ceramide (t18:0/16:0)
N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]hexadecanamide

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

Density: 0.9±0.1 g/cm3
Boiling Point: 703.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.6±6.0 kJ/mol
Flash Point: 379.0±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 167.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 12.56
ACD/LogD (pH 5.5): 11.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 589.3±3.0 cm3

Click to predict properties on the Chemicalize site


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