ChemSpider 2D Image | (2R,4R,5R)-5-(Benzyloxy)-4-{(2S,3S,5R,6R)-3-[(1R)-1,2-bis(benzyloxy)ethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl}-2-phenyl-1,3-dioxane | C41H48O9

(2R,4R,5R)-5-(Benzyloxy)-4-{(2S,3S,5R,6R)-3-[(1R)-1,2-bis(benzyloxy)ethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl}-2-phenyl-1,3-dioxane

  • Molecular FormulaC41H48O9
  • Average mass684.814 Da
  • Monoisotopic mass684.329834 Da
  • ChemSpider ID30658718

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,4R,5R)-5-(Benzyloxy)-4-{(2S,3S,5R,6R)-3-[(1R)-1,2-bis(benzyloxy)ethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl}-2-phenyl-1,3-dioxan [German] [ACD/IUPAC Name]
(2R,4R,5R)-5-(Benzyloxy)-4-{(2S,3S,5R,6R)-3-[(1R)-1,2-bis(benzyloxy)ethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl}-2-phenyl-1,3-dioxane [ACD/IUPAC Name]
(2R,4R,5R)-5-(Benzyloxy)-4-{(2S,3S,5R,6R)-3-[(1R)-1,2-bis(benzyloxy)éthyl]-5,6-diméthoxy-5,6-diméthyl-1,4-dioxan-2-yl}-2-phényl-1,3-dioxane [French] [ACD/IUPAC 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: 741.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 268.3±32.8 °C
Index of Refraction: 1.593
Molar Refractivity: 191.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 11.18
ACD/LogD (pH 5.5): 8.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1081131.00
ACD/LogD (pH 7.4): 8.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1081131.00
Polar Surface Area: 83 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 563.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement