ChemSpider 2D Image | N-[(2S,3S,4R)-3,4-Dihydroxy-1-{[(1S,2R,3S,4R,5S)-2,3,4-trihydroxy-5-methoxycyclohexyl]oxy}-2-octadecanyl]hexacosanamide | C51H101NO8

N-[(2S,3S,4R)-3,4-Dihydroxy-1-{[(1S,2R,3S,4R,5S)-2,3,4-trihydroxy-5-methoxycyclohexyl]oxy}-2-octadecanyl]hexacosanamide

  • Molecular FormulaC51H101NO8
  • Average mass856.349 Da
  • Monoisotopic mass855.752747 Da
  • ChemSpider ID24648133

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Hexacosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-[[[(1S,2R,3S,4R,5S)-2,3,4-trihydroxy-5-methoxycyclohexyl]oxy]methyl]heptadecyl]- [ACD/Index Name]
N-[(2S,3S,4R)-3,4-Dihydroxy-1-{[(1S,2R,3S,4R,5S)-2,3,4-trihydroxy-5-methoxycyclohexyl]oxy}-2-octadecanyl]hexacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-3,4-Dihydroxy-1-{[(1S,2R,3S,4R,5S)-2,3,4-trihydroxy-5-methoxycyclohexyl]oxy}-2-octadecanyl]hexacosanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-3,4-Dihydroxy-1-{[(1S,2R,3S,4R,5S)-2,3,4-trihydroxy-5-méthoxycyclohexyl]oxy}-2-octadécanyl]hexacosanamide [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 914.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.0±6.0 kJ/mol
Flash Point: 507.0±34.3 °C
Index of Refraction: 1.506
Molar Refractivity: 250.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 18.52
ACD/LogD (pH 5.5): 16.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 149 Å2
Polarizability: 99.5±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 844.1±5.0 cm3

Click to predict properties on the Chemicalize site


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