ChemSpider 2D Image | (2R,2'R,5R,5'R)-5-[(1R)-1-(Benzyloxy)-7-octyn-1-yl]-5'-[(1S)-1-(benzyloxy)undecyl]octahydro-2,2'-bifuran | C41H60O4

(2R,2'R,5R,5'R)-5-[(1R)-1-(Benzyloxy)-7-octyn-1-yl]-5'-[(1S)-1-(benzyloxy)undecyl]octahydro-2,2'-bifuran

  • Molecular FormulaC41H60O4
  • Average mass616.913 Da
  • Monoisotopic mass616.449158 Da
  • ChemSpider ID26578568

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,2'R,5R,5'R)-5-[(1R)-1-(Benzyloxy)-7-octin-1-yl]-5'-[(1S)-1-(benzyloxy)undecyl]octahydro-2,2'-bifuran [German] [ACD/IUPAC Name]
(2R,2'R,5R,5'R)-5-[(1R)-1-(Benzyloxy)-7-octyn-1-yl]-5'-[(1S)-1-(benzyloxy)undecyl]octahydro-2,2'-bifuran [ACD/IUPAC Name]
(2R,2'R,5R,5'R)-5-[(1R)-1-(Benzyloxy)-7-octyn-1-yl]-5'-[(1S)-1-(benzyloxy)undécyl]octahydro-2,2'-bifurane [French] [ACD/IUPAC Name]
2,2'-Bifuran, octahydro-5-[(1R)-1-(phenylmethoxy)-7-octyn-1-yl]-5'-[(1S)-1-(phenylmethoxy)undecyl]-, (2R,2'R,5R,5'R)- [ACD/Index 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: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 52.4±38.3 °C
Index of Refraction: 1.528
Molar Refractivity: 185.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 11.18
ACD/LogD (pH 5.5): 10.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 37 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 602.9±3.0 cm3

Click to predict properties on the Chemicalize site


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