ChemSpider 2D Image | 2,3-Dihydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanamide | C42H85NO6

2,3-Dihydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanamide

  • Molecular FormulaC42H85NO6
  • Average mass700.127 Da
  • Monoisotopic mass699.637695 Da
  • ChemSpider ID78440887

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2,3-Dihydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanamid [German] [ACD/IUPAC Name]
2,3-Dihydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanamide [ACD/IUPAC Name]
2,3-Dihydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadécanyl]tétracosanamide [French] [ACD/IUPAC Name]
Tetracosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-2,3-dihydroxy- [ACD/Index Name]
Paxillamide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 824.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.3±6.0 kJ/mol
Flash Point: 452.3±34.3 °C
Index of Refraction: 1.491
Molar Refractivity: 207.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 15.04
ACD/LogD (pH 5.5): 13.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 130 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 717.2±3.0 cm3

Click to predict properties on the Chemicalize site


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