ChemSpider 2D Image | Glucosylceramide (d18:1/22:0) | C46H89NO8

Glucosylceramide (d18:1/22:0)

  • Molecular FormulaC46H89NO8
  • Average mass784.201 Da
  • Monoisotopic mass783.658813 Da
  • ChemSpider ID8548528
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

Glucosylceramide (d18:1/22:0)
119242-44-3 [RN]
85305-87-9 [RN]
C22 Glucosylceramide (d18:1/22:0)
Docosanamide, N-[(1S,2R,3E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]docosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]docosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-octadécén-2-yl]docosanamide [French] [ACD/IUPAC Name]
β-D-glucosyl-N-(docosanoyl)sphingosine
1-O-b-D-glucopyranosyl-Ceramide
More...

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 887.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.5±6.0 kJ/mol
Flash Point: 490.5±34.3 °C
Index of Refraction: 1.514
Molar Refractivity: 227.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 14.41
ACD/LogD (pH 5.5): 12.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 149 Å2
Polarizability: 90.3±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 756.9±5.0 cm3

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