ChemSpider 2D Image | N-(2-hydroxyicosanoyl)-4-hydroxy-15-methylhexadecasphinganine | C37H75NO5

N-(2-hydroxyicosanoyl)-4-hydroxy-15-methylhexadecasphinganine

  • Molecular FormulaC37H75NO5
  • Average mass613.995 Da
  • Monoisotopic mass613.564514 Da
  • ChemSpider ID30785608

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methyl-2-hexadecanyl]icosanamid [German] [ACD/IUPAC Name]
2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methyl-2-hexadecanyl]icosanamide [ACD/IUPAC Name]
2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-15-méthyl-2-hexadécanyl]icosanamide [French] [ACD/IUPAC Name]
Eicosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)-14-methylpentadecyl]-2-hydroxy- [ACD/Index Name]
N-(2-hydroxyicosanoyl)-4-hydroxy-15-methylhexadecasphinganine
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]icosanamide
N-(2-hydroxyeicosanoyl)-4-hydroxy-15-methylhexadecahydrosphingosine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 753.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 409.6±32.9 °C
Index of Refraction: 1.486
Molar Refractivity: 183.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: 13.46
ACD/LogD (pH 5.5): 11.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 110 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 637.1±3.0 cm3

Click to predict properties on the Chemicalize site


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