ChemSpider 2D Image | N-henicosanoyl-15-methylhexadecasphinganine | C38H77NO3

N-henicosanoyl-15-methylhexadecasphinganine

  • Molecular FormulaC38H77NO3
  • Average mass596.023 Da
  • Monoisotopic mass595.590332 Da
  • ChemSpider ID31150300

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Heneicosanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-14-methylpentadecyl]- [ACD/Index Name]
N-[(2S,3R)-1,3-Dihydroxy-15-methyl-2-hexadecanyl]henicosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-15-methyl-2-hexadecanyl]henicosanamide [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-15-méthyl-2-hexadécanyl]hénicosanamide [French] [ACD/IUPAC Name]
N-henicosanoyl-15-methylhexadecasphinganine
N-[(2S,3R)-1,3-dihydroxy-15-methylhexadecan-2-yl]henicosanamide
N-henicosanoyl-15-methylhexadecadihydrosphingosine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 710.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 383.5±30.1 °C
Index of Refraction: 1.473
Molar Refractivity: 184.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 15.41
ACD/LogD (pH 5.5): 13.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 657.9±3.0 cm3

Click to predict properties on the Chemicalize site


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