ChemSpider 2D Image | (4R,5S,6R)-4,5,6-Tris(benzyloxy)-3-[(benzyloxy)methyl]-2-cyclohexen-1-one | C35H34O5

(4R,5S,6R)-4,5,6-Tris(benzyloxy)-3-[(benzyloxy)methyl]-2-cyclohexen-1-one

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID10128785

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,5S,6R)-4,5,6-Tris(benzyloxy)-3-[(benzyloxy)methyl]-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4R,5S,6R)-4,5,6-Tris(benzyloxy)-3-[(benzyloxy)methyl]-2-cyclohexen-1-one [ACD/IUPAC Name]
(4R,5S,6R)-4,5,6-Tris(benzyloxy)-3-[(benzyloxy)méthyl]-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4,5,6-tris(phenylmethoxy)-3-[(phenylmethoxy)methyl]-, (4R,5S,6R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 664.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 277.2±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 156.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 175413.27
ACD/KOC (pH 5.5): 197367.73
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 175413.27
ACD/KOC (pH 7.4): 197367.73
Polar Surface Area: 54 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 444.1±5.0 cm3

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