ChemSpider 2D Image | N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]tricosanamide | C41H79NO3

N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]tricosanamide

  • Molecular FormulaC41H79NO3
  • Average mass634.071 Da
  • Monoisotopic mass633.606018 Da
  • ChemSpider ID64808489

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]tricosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]tricosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadécadién-2-yl]tricosanamide [French] [ACD/IUPAC Name]
Tricosanamide, N-[(1S,2R,3E,13Z)-2-hydroxy-1-(hydroxymethyl)-3,13-heptadecadien-1-yl]- [ACD/Index Name]
Cer (d18:2/23:0)
Cer(d18:2/23:0)
Cer[NS]
ceramide (d18:2/23:0)
N-(tricosanoyl)-4E,14Z-sphingadienine
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]tricosanamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 740.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.3±6.0 kJ/mol
Flash Point: 401.7±32.9 °C
Index of Refraction: 1.484
Molar Refractivity: 198.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 16.54
ACD/LogD (pH 5.5): 14.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 78.8±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 694.2±3.0 cm3

Click to predict properties on the Chemicalize site


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