ChemSpider 2D Image | N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]butanamide | C22H45NO3

N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]butanamide

  • Molecular FormulaC22H45NO3
  • Average mass371.598 Da
  • Monoisotopic mass371.339935 Da
  • ChemSpider ID23935626

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Butanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]butanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]butanamide [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadécanyl]butanamide [French] [ACD/IUPAC Name]
202467-76-3 [RN]
409084-99-7 [RN]
C4 Dihydroceramide
C4Dihydroceramide
N-[(2S,3R)-1,3-Dihydroxyoctadecan-2-yl]butanamide

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

Density: 0.9±0.1 g/cm3
Boiling Point: 553.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 288.4±27.3 °C
Index of Refraction: 1.474
Molar Refractivity: 110.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 54878.39
ACD/KOC (pH 5.5): 85910.22
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 54878.39
ACD/KOC (pH 7.4): 85910.22
Polar Surface Area: 70 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 393.4±3.0 cm3

Click to predict properties on the Chemicalize site


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