ChemSpider 2D Image | N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine | C45H89NO4

N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine

  • Molecular FormulaC45H89NO4
  • Average mass708.193 Da
  • Monoisotopic mass707.679138 Da
  • ChemSpider ID28639061

  • 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

N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine
N-[(2S,3R,4E)-1,3-Dihydroxy-15-methyl-4-hexadecen-2-yl]-2-hydroxyoctacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-15-methyl-4-hexadecen-2-yl]-2-hydroxyoctacosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-15-méthyl-4-hexadécén-2-yl]-2-hydroxyoctacosanamide [French] [ACD/IUPAC Name]
Octacosanamide, 2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-14-methyl-3-pentadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-2-hydroxyoctacosanamide

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

Density: 0.9±0.1 g/cm3
Boiling Point: 797.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.1±6.0 kJ/mol
Flash Point: 436.0±32.9 °C
Index of Refraction: 1.484
Molar Refractivity: 218.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 18.49
ACD/LogD (pH 5.5): 15.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 86.7±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 764.9±3.0 cm3

Click to predict properties on the Chemicalize site


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