ChemSpider 2D Image | N-[(2S,3R,4E)-1,3-Dihydroxy-4-tetradecen-2-yl]butanamide | C18H35NO3

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

  • Molecular FormulaC18H35NO3
  • Average mass313.475 Da
  • Monoisotopic mass313.261688 Da
  • ChemSpider ID26563955

  • 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

Butanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-tridecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-tetradecen-2-yl]butanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-tetradecen-2-yl]butanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-tétradécén-2-yl]butanamide [French] [ACD/IUPAC Name]
(2S,3R,4E)-2-BUTYRYLAMINO-4-TETRADECENE-1,3-DIOL
1644540-99-7 [RN]
N-[(E,2S,3R)-1,3-dihydroxytetradec-4-en-2-yl]butanamide

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 511.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 90.0±6.0 kJ/mol
    Flash Point: 262.9±30.1 °C
    Index of Refraction: 1.486
    Molar Refractivity: 92.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 0
    ACD/LogP: 4.84
    ACD/LogD (pH 5.5): 4.54
    ACD/BCF (pH 5.5): 1655.62
    ACD/KOC (pH 5.5): 7010.20
    ACD/LogD (pH 7.4): 4.54
    ACD/BCF (pH 7.4): 1655.62
    ACD/KOC (pH 7.4): 7010.19
    Polar Surface Area: 70 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 38.0±3.0 dyne/cm
    Molar Volume: 321.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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