Found 7 results

Search term: MF = 'C_{44}H_{85}NO_{9}'
ChemSpider 2D Image | N-[(2S,3R,4E)-1-(beta-D-Glucopyranosyloxy)-3-hydroxy-4-tetradecen-2-yl]-2-hydroxytetracosanamide | C44H85NO9

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

  • Molecular FormulaC44H85NO9
  • Average mass772.147 Da
  • Monoisotopic mass771.622437 Da
  • ChemSpider ID113381896

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 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-tetradecen-2-yl]-2-hydroxytetracosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-tetradecen-2-yl]-2-hydroxytetracosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-4-tétradécén-2-yl]-2-hydroxytétracosanamide [French] [ACD/IUPAC Name]
Tetracosanamide, N-[(1S,2R,3E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3-tridecen-1-yl]-2-hydroxy- [ACD/Index Name]
GlcCer(d14:1(4E)/24:0(2OH))
N-(2-hydroxy-tetracosanoyl)-1-β-glucosyl-tetradecasphing-4-enine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 894.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.7±6.0 kJ/mol
Flash Point: 494.9±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 219.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 4
ACD/LogP: 12.84
ACD/LogD (pH 5.5): 11.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 169 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 722.7±5.0 cm3

Click to predict properties on the Chemicalize site


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