ChemSpider 2D Image | Ceramide (d18:1/22:0) | C40H79NO3

Ceramide (d18:1/22:0)

  • Molecular FormulaC40H79NO3
  • Average mass622.060 Da
  • Monoisotopic mass621.606018 Da
  • ChemSpider ID4446680

  • 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 (d18:1/22:0)
104404-17-3 [RN]
27888-44-4 [RN]
C22 Ceramide
C22 Ceramide (d18:1/22:0)
Docosanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]docosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]docosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadécén-2-yl]docosanamide [French] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]docosanamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMSP02010008 [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: 731.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.9±6.0 kJ/mol
Flash Point: 396.4±32.9 °C
Index of Refraction: 1.479
Molar Refractivity: 194.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 16.53
ACD/LogD (pH 5.5): 14.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 684.1±3.0 cm3

Click to predict properties on the Chemicalize site


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