ChemSpider 2D Image | (2R)-N-[(2S,3S,4R)-1-(beta-D-Glucopyranosyloxy)-3,4-dihydroxy-13-methyl-2-tetradecanyl]-2-hydroxydocosanamide | C43H85NO10

(2R)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-13-methyl-2-tetradecanyl]-2-hydroxydocosanamide

  • Molecular FormulaC43H85NO10
  • Average mass776.136 Da
  • Monoisotopic mass775.617371 Da
  • ChemSpider ID44210954

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-13-methyl-2-tetradecanyl]-2-hydroxydocosanamid [German] [ACD/IUPAC Name]
(2R)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-13-methyl-2-tetradecanyl]-2-hydroxydocosanamide [ACD/IUPAC Name]
(2R)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-13-méthyl-2-tétradécanyl]-2-hydroxydocosanamide [French] [ACD/IUPAC Name]
Docosanamide, N-[(1S,2S,3R)-1-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydroxy-12-methyltridecyl]-2-hydroxy-, (2R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 912.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.6±6.0 kJ/mol
Flash Point: 505.7±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 216.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 4
ACD/LogP: 11.54
ACD/LogD (pH 5.5): 9.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4661172.50
ACD/LogD (pH 7.4): 9.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4661131.50
Polar Surface Area: 189 Å2
Polarizability: 86.0±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 711.7±5.0 cm3

Click to predict properties on the Chemicalize site


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