ChemSpider 2D Image | Ceramide (d18:1/9Z-18:1) | C36H69NO3

Ceramide (d18:1/9Z-18:1)

  • Molecular FormulaC36H69NO3
  • Average mass563.938 Da
  • Monoisotopic mass563.527771 Da
  • ChemSpider ID4446676

  • 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 (d18:1/9Z-18:1)
(2S,3R,4E)-2-(Oleoylamino)-4-octadecene-1,3-diol
(9Z)-N-[(1S,2R,3E)-2-Hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-9-octadecenamide
(9Z)-N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]-9-octadecenamid [German] [ACD/IUPAC Name]
(9Z)-N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]-9-octadecenamide [ACD/IUPAC Name]
(9Z)-N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadécén-2-yl]-9-octadécénamide [French] [ACD/IUPAC Name]
104404-17-3 [RN]
5966-28-9 [RN]
9-Octadecenamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-, (9Z)- [ACD/Index Name]
C18:1 Ceramide (d18:1/18:1(9Z))
More...

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

6283861 [DBID]
LMSP02010003 [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: 694.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 373.7±31.5 °C
Index of Refraction: 1.486
Molar Refractivity: 175.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 13.88
ACD/LogD (pH 5.5): 12.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 611.7±3.0 cm3

Click to predict properties on the Chemicalize site


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