ChemSpider 2D Image | N-docosanoyl-4-hydroxysphinganine | C40H81NO4

N-docosanoyl-4-hydroxysphinganine

  • Molecular FormulaC40H81NO4
  • Average mass640.075 Da
  • Monoisotopic mass639.616577 Da
  • ChemSpider ID4479726
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Docosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]docosanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]docosanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadécanyl]docosanamide [French] [ACD/IUPAC Name]
N-docosanoyl-4-hydroxysphinganine
Cer 18:0
Cer 18:0;3/22:0;0
Cer(t18:0/22:0)
N-(docosanoyl)-4-hydroxysphinganine
N-(docosanoyl)-4R-hydroxysphinganine
More...

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

  • Miscellaneous
    • Chemical Class:

      A phytoceramide in which the ceramide <element>N</element>-acyl group is specified as docosanoyl (behenoyl). ChEBI CHEBI:67024

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

Density: 0.9±0.1 g/cm3
Boiling Point: 757.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 411.7±32.9 °C
Index of Refraction: 1.480
Molar Refractivity: 195.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.75
ACD/LogD (pH 5.5): 14.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 688.4±3.0 cm3

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