ChemSpider 2D Image | (1'R,2R,4S,5R,8'S,10'R)-1',8',10'-Trichloro-3',6'-dimethoxy-3,4-dimethyl-5-phenylspiro[1,3-oxazolidine-2,9'-tricyclo[6.2.1.0~2,7~]undeca[2,4,6]triene] | C23H24Cl3NO3

(1'R,2R,4S,5R,8'S,10'R)-1',8',10'-Trichloro-3',6'-dimethoxy-3,4-dimethyl-5-phenylspiro[1,3-oxazolidine-2,9'-tricyclo[6.2.1.02,7]undeca[2,4,6]triene]

  • Molecular FormulaC23H24Cl3NO3
  • Average mass468.801 Da
  • Monoisotopic mass467.082184 Da
  • ChemSpider ID30658578

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1'R,2R,4S,5R,8'S,10'R)-1',8',10'-Trichloro-3',6'-dimethoxy-3,4-dimethyl-5-phenylspiro[1,3-oxazolidine-2,9'-tricyclo[6.2.1.02,7]undeca[2,4,6]triene] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.8±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 119.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3655.48
ACD/KOC (pH 5.5): 12354.71
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3658.90
ACD/KOC (pH 7.4): 12366.28
Polar Surface Area: 31 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 333.6±5.0 cm3

Click to predict properties on the Chemicalize site


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