ChemSpider 2D Image | (2R)-N-[(2S,3R,8Z)-1,3-Dihydroxy-8-octadecen-2-yl]-2-hydroxyicosanamide | C38H75NO4

(2R)-N-[(2S,3R,8Z)-1,3-Dihydroxy-8-octadecen-2-yl]-2-hydroxyicosanamide

  • Molecular FormulaC38H75NO4
  • Average mass610.006 Da
  • Monoisotopic mass609.569580 Da
  • ChemSpider ID113381157

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-N-[(2S,3R,8Z)-1,3-Dihydroxy-8-octadecen-2-yl]-2-hydroxyicosanamid [German] [ACD/IUPAC Name]
(2R)-N-[(2S,3R,8Z)-1,3-Dihydroxy-8-octadecen-2-yl]-2-hydroxyicosanamide [ACD/IUPAC Name]
(2R)-N-[(2S,3R,8Z)-1,3-Dihydroxy-8-octadécén-2-yl]-2-hydroxyicosanamide [French] [ACD/IUPAC Name]
Eicosanamide, 2-hydroxy-N-[(1S,2R,7Z)-2-hydroxy-1-(hydroxymethyl)-7-heptadecen-1-yl]-, (2R)- [ACD/Index Name]
Cer(d18:1(8Z)/20:0(2OH[R]))
N-(1,3-dihydroxyoctadec-8-en-2-yl)-2-hydroxyicosanamide
N-(2R-hydroxyicosanoyl)-8Z-octadecasphingenine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 739.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.1±6.0 kJ/mol
Flash Point: 400.9±32.9 °C
Index of Refraction: 1.486
Molar Refractivity: 186.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.56
ACD/LogD (pH 5.5): 13.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 649.0±3.0 cm3

Click to predict properties on the Chemicalize site


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