ChemSpider 2D Image | {(2R,5S)-2-[(Benzyloxy)methyl]-5-[2-oxo-2-(tetradecyloxy)ethyl]tetrahydro-2-furanyl}methyl hexanoate | C35H58O6

{(2R,5S)-2-[(Benzyloxy)methyl]-5-[2-oxo-2-(tetradecyloxy)ethyl]tetrahydro-2-furanyl}methyl hexanoate

  • Molecular FormulaC35H58O6
  • Average mass574.831 Da
  • Monoisotopic mass574.423340 Da
  • ChemSpider ID8921036

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2R,5S)-2-[(Benzyloxy)methyl]-5-[2-oxo-2-(tetradecyloxy)ethyl]tetrahydro-2-furanyl}methyl hexanoate [ACD/IUPAC Name]
{(2R,5S)-2-[(Benzyloxy)methyl]-5-[2-oxo-2-(tetradecyloxy)ethyl]tetrahydro-2-furanyl}methyl-hexanoat [German] [ACD/IUPAC Name]
2-Furanacetic acid, tetrahydro-5-[[(1-oxohexyl)oxy]methyl]-5-[(phenylmethoxy)methyl]-, tetradecyl ester, (2S,5R)- [ACD/Index Name]
Hexanoate de {(2R,5S)-2-[(benzyloxy)méthyl]-5-[2-oxo-2-(tétradécyloxy)éthyl]tétrahydro-2-furanyl}méthyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 629.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 255.4±26.0 °C
Index of Refraction: 1.485
Molar Refractivity: 165.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 11.08
ACD/LogD (pH 5.5): 11.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 71 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 578.6±3.0 cm3

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