ChemSpider 2D Image | 3-Hydroxy-5-{[3-hydroxy-6-methyl-5-(pentofuranosyloxy)octanoyl]oxy}-6-methyloctanoic acid | C23H42O11

3-Hydroxy-5-{[3-hydroxy-6-methyl-5-(pentofuranosyloxy)octanoyl]oxy}-6-methyloctanoic acid

  • Molecular FormulaC23H42O11
  • Average mass494.573 Da
  • Monoisotopic mass494.272705 Da
  • ChemSpider ID29814548

More details:

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

3-Hydroxy-5-{[3-hydroxy-6-methyl-5-(pentofuranosyloxy)octanoyl]oxy}-6-methyloctanoic acid [ACD/IUPAC Name]
3-Hydroxy-5-{[3-hydroxy-6-methyl-5-(pentofuranosyloxy)octanoyl]oxy}-6-methyloctansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-5-{[3-hydroxy-6-méthyl-5-(pentofuranosyloxy)octanoyl]oxy}-6-méthyloctanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 3-hydroxy-5-[[3-hydroxy-6-methyl-1-oxo-5-(pentofuranosyloxy)octyl]oxy]-6-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.0±6.0 kJ/mol
Flash Point: 234.4±26.4 °C
Index of Refraction: 1.534
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.90
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 389.1±5.0 cm3

Click to predict properties on the Chemicalize site


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