ChemSpider 2D Image | 2-Methyl-2-propanyl [(3S,4R,5R)-4-hydroxy-5-tetradecyltetrahydro-3-furanyl]carbamate | C23H45NO4

2-Methyl-2-propanyl [(3S,4R,5R)-4-hydroxy-5-tetradecyltetrahydro-3-furanyl]carbamate

  • Molecular FormulaC23H45NO4
  • Average mass399.608 Da
  • Monoisotopic mass399.334869 Da
  • ChemSpider ID26993962

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3S,4R,5R)-4-Hydroxy-5-tétradécyltétrahydro-3-furanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(3S,4R,5R)-4-hydroxy-5-tetradecyltetrahydro-3-furanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3S,4R,5R)-4-hydroxy-5-tetradecyltetrahydro-3-furanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S,4R,5R)-tetrahydro-4-hydroxy-5-tetradecyl-3-furanyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl ((3S,4R,5R)-4-hydroxy-5-tetradecyltetrahydrofuran-3-yl)carbamate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 519.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.2±6.0 kJ/mol
Flash Point: 268.2±30.1 °C
Index of Refraction: 1.483
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 414419.53
ACD/KOC (pH 5.5): 365204.19
ACD/LogD (pH 7.4): 7.69
ACD/BCF (pH 7.4): 414392.69
ACD/KOC (pH 7.4): 365180.53
Polar Surface Area: 68 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 403.6±5.0 cm3

Click to predict properties on the Chemicalize site


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