Found 1 result

Search term: MF = 'C_{36}H_{68}D_{3}NO_{3}'
ChemSpider 2D Image | C18 Ceramide-d3 (d18:1/18:0-d3) | C36H68D3NO3

C18 Ceramide-d3 (d18:1/18:0-d3)

  • Molecular FormulaC36H68D3NO3
  • Average mass568.972 Da
  • Monoisotopic mass568.562195 Da
  • ChemSpider ID68004159

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2011762-82-4 [RN]
C18 Ceramide-d3 (d18:1/18:0-d3)
N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl](18,18,18-2H3)octadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl](18,18,18-2H3)octadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadécén-2-yl](18,18,18-2H3)octadécanamide [French] [ACD/IUPAC Name]
Octadecanamide-18,18,18-d3, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl-d3]-octadecanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 694.5±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: 373.8±31.5 °C
Index of Refraction: 1.480
Molar Refractivity: 175.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 14.40
ACD/LogD (pH 5.5): 13.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.35
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: 35.9±3.0 dyne/cm
Molar Volume: 618.1±3.0 cm3

Click to predict properties on the Chemicalize site


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