ChemSpider 2D Image | (1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.0~2,6~]undec-7-yl 2,4-dichlorobenzoate | C24H30Cl2O6

(1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl 2,4-dichlorobenzoate

  • Molecular FormulaC24H30Cl2O6
  • Average mass485.397 Da
  • Monoisotopic mass484.141937 Da
  • ChemSpider ID76801947

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl 2,4-dichlorobenzoate [ACD/IUPAC Name]
(1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl-2,4-dichlorbenzoat [German] [ACD/IUPAC Name]
2,4-Dichlorobenzoate de (1S,2R,5R,6R,7S,8R,10R)-10-(2-hydroxyacétoxy)-8-isopropyl-1,5-diméthyl-11-oxatricyclo[6.2.1.02,6]undéc-7-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dichloro-, (1R,3aR,4S,5R,7R,8S,8aR)-decahydro-5-[(2-hydroxyacetyl)oxy]-1,4-dimethyl-7-(1-methylethyl)-4,7-epoxyazulen-8-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.1±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3491.08
ACD/KOC (pH 5.5): 11957.62
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3491.07
ACD/KOC (pH 7.4): 11957.58
Polar Surface Area: 82 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 363.1±5.0 cm3

Click to predict properties on the Chemicalize site


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