ChemSpider 2D Image | N-[(2S,3R,4E)-1-(beta-D-Glucopyranosyloxy)-3-hydroxy-4-hexadecen-2-yl]tetracosanamide | C46H89NO8

N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-hexadecen-2-yl]tetracosanamide

  • Molecular FormulaC46H89NO8
  • Average mass784.201 Da
  • Monoisotopic mass783.658813 Da
  • ChemSpider ID113381879

  • 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

N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-hexadecen-2-yl]tetracosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-hexadecen-2-yl]tetracosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-hexadécén-2-yl]tétracosanamide [French] [ACD/IUPAC Name]
Tetracosanamide, N-[(1S,2R,3E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3-pentadecen-1-yl]- [ACD/Index Name]
GlcCer(d16:1(4E)/24:0)
GlcCer(d16:1/24:0)
N-(tetracosanoyl)-1-β-glucosyl-hexadecasphing-4-enine

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

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): 12.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.93
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

Click to predict properties on the Chemicalize site


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