ChemSpider 2D Image | N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]pentacosanamide | C43H87NO3

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

  • Molecular FormulaC43H87NO3
  • Average mass666.156 Da
  • Monoisotopic mass665.668579 Da
  • ChemSpider ID24765765

  • 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-octadecanyl]pentacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]pentacosanamide [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadécanyl]pentacosanamide [French] [ACD/IUPAC Name]
Pentacosanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
Cer(d18:0/25:0)
Cer[NdS]
N-(pentacosanoyl)-dihydroceramide
N-(pentacosanoyl)-sphinganine
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]pentacosanamide

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 759.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.2±6.0 kJ/mol
Flash Point: 413.0±30.1 °C
Index of Refraction: 1.474
Molar Refractivity: 207.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 18.25
ACD/LogD (pH 5.5): 16.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 740.0±3.0 cm3

Click to predict properties on the Chemicalize site


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