ChemSpider 2D Image | N-C18:0 Phytoceramide | C36H73NO4

N-C18:0 Phytoceramide

  • Molecular FormulaC36H73NO4
  • Average mass583.969 Da
  • Monoisotopic mass583.553955 Da
  • ChemSpider ID8074300
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

34354-88-6 [RN]
Confertamide B [Trade name]
MFCD02259296 [MDL number]
N-(stearoyl)-phytoceramide
N-[(1S,2S,3R)-2,3-Dihydroxy-1-(hydroxymethyl)heptadecyl]octadecanamide
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]octadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]octadecanamide
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadécanyl]octadécanamide [French] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxyoctadecan-2-yl]stearamide [ACD/IUPAC Name]
More...
  • Miscellaneous
    • Chemical Class:

      A phytoceramide in which the ceramide <element>N</element>-acyl group is specified as octadecanoyl (stearoyl). ChEBI CHEBI:67035

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 721.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.4±6.0 kJ/mol
Flash Point: 390.1±32.9 °C
Index of Refraction: 1.480
Molar Refractivity: 176.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.63
ACD/LogD (pH 5.5): 12.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 622.4±3.0 cm3

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