ChemSpider 2D Image | octadecanoic acid, (1S)-2-[(6-amino-6-deoxy-alpha-D-erythro-hexopyranosyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester | C43H83NO9

octadecanoic acid, (1S)-2-[(6-amino-6-deoxy-α-D-erythro-hexopyranosyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester

  • Molecular FormulaC43H83NO9
  • Average mass758.120 Da
  • Monoisotopic mass757.606812 Da
  • ChemSpider ID21431278
  • defined stereocentres - 4 of 6 defined stereocentres


More details:






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

octadecanoic acid, (1S)-2-[(6-amino-6-deoxy-α-D-erythro-hexopyranosyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 805.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.4±6.0 kJ/mol
Flash Point: 440.9±34.3 °C
Index of Refraction: 1.503
Molar Refractivity: 214.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 4
ACD/LogP: 15.44
ACD/LogD (pH 5.5): 9.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 272350.81
ACD/LogD (pH 7.4): 11.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4092777.25
Polar Surface Area: 158 Å2
Polarizability: 85.0±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 725.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement