ChemSpider 2D Image | N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]triacontanamide | C48H93NO3

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

  • Molecular FormulaC48H93NO3
  • Average mass732.257 Da
  • Monoisotopic mass731.715576 Da
  • ChemSpider ID113381223

  • 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]triacontanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]triacontanamide [ACD/IUPAC Name]
N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadécadién-2-yl]triacontanamide [French] [ACD/IUPAC Name]
Triacontanamide, N-[(1S,2R,3E,13Z)-2-hydroxy-1-(hydroxymethyl)-3,13-heptadecadien-1-yl]- [ACD/Index Name]
Cer(d18:2/30:0)
Cer[NSD]
N-(triacontanoyl)-4E,14Z-sphingadienine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 802.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.9±6.0 kJ/mol
Flash Point: 439.0±34.3 °C
Index of Refraction: 1.483
Molar Refractivity: 231.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 20.26
ACD/LogD (pH 5.5): 17.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 91.6±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 809.8±3.0 cm3

Click to predict properties on the Chemicalize site


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