ChemSpider 2D Image | 2-{5-[2-({2-[5-(2-Hydroxybutyl)tetrahydro-2-furanyl]propanoyl}oxy)butyl]tetrahydro-2-furanyl}propanoic acid | C22H38O7

2-{5-[2-({2-[5-(2-Hydroxybutyl)tetrahydro-2-furanyl]propanoyl}oxy)butyl]tetrahydro-2-furanyl}propanoic acid

  • Molecular FormulaC22H38O7
  • Average mass414.533 Da
  • Monoisotopic mass414.261749 Da
  • ChemSpider ID22369698

More details:






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

2-{5-[2-({2-[5-(2-Hydroxybutyl)tetrahydro-2-furanyl]propanoyl}oxy)butyl]tetrahydro-2-furanyl}propanoic acid [ACD/IUPAC Name]
2-{5-[2-({2-[5-(2-Hydroxybutyl)tetrahydro-2-furanyl]propanoyl}oxy)butyl]tetrahydro-2-furanyl}propansäure [German] [ACD/IUPAC Name]
2-Furanacetic acid, tetrahydro-α-methyl-5-[2-[1-oxo-2-[tetrahydro-5-(2-hydroxybutyl)-2-furanyl]propoxy]butyl]- [ACD/Index Name]
Acide 2-{5-[2-({2-[5-(2-hydroxybutyl)tétrahydro-2-furanyl]propanoyl}oxy)butyl]tétrahydro-2-furanyl}propanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 551.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 181.6±13.9 °C
Index of Refraction: 1.490
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 28.59
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 372.7±3.0 cm3

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