ChemSpider 2D Image | (2R)-N-[(2S,3R,4E,8E)-1-(beta-D-Glucopyranosyloxy)-3-hydroxy-9-methyl-4,8-pentadecadien-2-yl]-2-hydroxyoctadecanamide | C40H75NO9

(2R)-N-[(2S,3R,4E,8E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-9-methyl-4,8-pentadecadien-2-yl]-2-hydroxyoctadecanamide

  • Molecular FormulaC40H75NO9
  • Average mass714.025 Da
  • Monoisotopic mass713.544189 Da
  • ChemSpider ID58915461

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R)-N-[(2S,3R,4E,8E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-9-methyl-4,8-pentadecadien-2-yl]-2-hydroxyoctadecanamid [German] [ACD/IUPAC Name]
(2R)-N-[(2S,3R,4E,8E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-9-methyl-4,8-pentadecadien-2-yl]-2-hydroxyoctadecanamide [ACD/IUPAC Name]
(2R)-N-[(2S,3R,4E,8E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-9-méthyl-4,8-pentadécadién-2-yl]-2-hydroxyoctadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2R,3E,7E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7-tetradecadien-1-yl]-2-hydroxy-, (2R)- [ACD/Index Name]
Cerebroside E
N-(2R-hydroxy-octadecanoyl)-1-β-glucosyl-9-methyl-pentadecasphing-4E,8E-dienine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 869.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.6±6.0 kJ/mol
Flash Point: 479.7±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 201.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 4
ACD/LogP: 10.09
ACD/LogD (pH 5.5): 9.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2387629.25
ACD/LogD (pH 7.4): 9.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2387603.00
Polar Surface Area: 169 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 651.9±5.0 cm3

Click to predict properties on the Chemicalize site


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