ChemSpider 2D Image | N-[(2S,3S,4R)-1-(beta-D-Glucopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]-6-phenylhexanamide | C36H63NO9

N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]-6-phenylhexanamide

  • Molecular FormulaC36H63NO9
  • Average mass653.887 Da
  • Monoisotopic mass653.450256 Da
  • ChemSpider ID10176698

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Benzenehexanamide, N-[(1S,2S,3R)-1-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]- [ACD/Index Name]
N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]-6-phenylhexanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]-6-phenylhexanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-2-octadécanyl]-6-phénylhexanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 861.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 474.8±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 179.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 4
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 14863.87
ACD/KOC (pH 5.5): 33728.72
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14863.76
ACD/KOC (pH 7.4): 33728.46
Polar Surface Area: 169 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 563.2±5.0 cm3

Click to predict properties on the Chemicalize site


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