ChemSpider 2D Image | N-[(2S,3R)-1,3-Dihydroxy-2-hexadecanyl]tetracosanamide | C40H81NO3

N-[(2S,3R)-1,3-Dihydroxy-2-hexadecanyl]tetracosanamide

  • Molecular FormulaC40H81NO3
  • Average mass624.076 Da
  • Monoisotopic mass623.621643 Da
  • ChemSpider ID113381289

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-[(2S,3R)-1,3-Dihydroxy-2-hexadecanyl]tetracosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-hexadecanyl]tetracosanamide [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-hexadécanyl]tétracosanamide [French] [ACD/IUPAC Name]
Tetracosanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)pentadecyl]- [ACD/Index Name]
Cer(d16:0/24:0)
Cer[NdS]
N-(tetracosanoyl)-hexadecasphinganine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 732.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.0±6.0 kJ/mol
Flash Point: 396.6±30.1 °C
Index of Refraction: 1.474
Molar Refractivity: 194.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 16.65
ACD/LogD (pH 5.5): 15.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 690.5±3.0 cm3

Click to predict properties on the Chemicalize site


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