Found 1 result

Search term: 113381140 (Found by CSID)
ChemSpider 2D Image | N-[(2S,3R,4E)-1,3-Dihydroxy-4-hexadecen-2-yl]-2-hydroxyicosanamide | C36H71NO4

N-[(2S,3R,4E)-1,3-Dihydroxy-4-hexadecen-2-yl]-2-hydroxyicosanamide

  • Molecular FormulaC36H71NO4
  • Average mass581.953 Da
  • Monoisotopic mass581.538330 Da
  • ChemSpider ID113381140

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Eicosanamide, 2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-pentadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-hexadecen-2-yl]-2-hydroxyicosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-hexadecen-2-yl]-2-hydroxyicosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-hexadécén-2-yl]-2-hydroxyicosanamide [French] [ACD/IUPAC Name]
Cer(d16:1(4E)/20:0(2OH))
Cer[AS]
N-(2-hydroxy-eicosanoyl)-hexadecasphing-4-enine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 721.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.4±6.0 kJ/mol
Flash Point: 390.0±32.9 °C
Index of Refraction: 1.486
Molar Refractivity: 177.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 13.89
ACD/LogD (pH 5.5): 12.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 616.0±3.0 cm3

Click to predict properties on the Chemicalize site


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