ChemSpider 2D Image | Ceramide (d18:1/16:0) | C34H67NO3

Ceramide (d18:1/16:0)

  • Molecular FormulaC34H67NO3
  • Average mass537.901 Da
  • Monoisotopic mass537.512085 Da
  • ChemSpider ID4446677
  • 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

Ceramide (d18:1/16:0)
(2S,3R,4E)-2-(Palmitoylamino)-4-octadecene-1,3-diol
104404-17-3 [RN]
C16 Ceramide (d18:1/16:0)
C16-Ceramide
Cer(d18:1/16:0)
Ceramide [Wiki]
Hexadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]- [ACD/Index Name]
MFCD00871748 [MDL number]
N-[(1S,2R,3E)-2-Hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]hexadecanamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMSP02010004 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 675.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 362.3±31.5 °C
Index of Refraction: 1.480
Molar Refractivity: 166.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 13.34
ACD/LogD (pH 5.5): 12.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 585.1±3.0 cm3

Click to predict properties on the Chemicalize site






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