ChemSpider 2D Image | N-tetracosanoyl-15-methylhexadecasphing-4-enine | C41H81NO3

N-tetracosanoyl-15-methylhexadecasphing-4-enine

  • Molecular FormulaC41H81NO3
  • Average mass636.087 Da
  • Monoisotopic mass635.621643 Da
  • ChemSpider ID28639051

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-[(2S,3R,4E)-1,3-Dihydroxy-15-methyl-4-hexadecen-2-yl]tetracosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-15-methyl-4-hexadecen-2-yl]tetracosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-15-méthyl-4-hexadécén-2-yl]tétracosanamide [French] [ACD/IUPAC Name]
N-tetracosanoyl-15-methylhexadecasphing-4-enine
Tetracosanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-14-methyl-3-pentadecen-1-yl]- [ACD/Index Name]
15-methyl-N-tetracosanoylhexadecasphing-4-enine
Cer 41:1
N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]tetracosanamide

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

2 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 737.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.9±6.0 kJ/mol
Flash Point: 400.1±32.9 °C
Index of Refraction: 1.479
Molar Refractivity: 198.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 16.87
ACD/LogD (pH 5.5): 14.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 701.0±3.0 cm3

Click to predict properties on the Chemicalize site


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